@article {Grilo_2021, title = {Comprehensive Laboratory Measurements Resolving the {LMM} Dielectronic Recombination Satellite Lines in Ne-like Fe xvii Ions}, journal = {The Astrophysical Journal}, volume = {913}, number = {2}, year = {2021}, note = {n/a}, month = {jun}, pages = {140}, publisher = {American Astronomical Society}, abstract = {n/a}, doi = {10.3847/1538-4357/abf737}, url = {https://doi.org/10.3847\%2F1538-4357\%2Fabf737}, author = {Filipe Grilo and Chintan Shah and Steffen K{\~A}{\textonequarter}hn and Ren{\'e} Steinbr{\~A}{\textonequarter}gge and Keisuke Fujii and Jos{\'e} Marques and Ming Feng Gu and Jos{\'e} Paulo Santos and Jos{\'e} R. Crespo L{\'o}pez-Urrutia and Amaro, Pedro} } @article {Krauth_2021, title = {Measuring the $\upalpha$-particle charge radius with muonic helium-4 ions}, journal = {Nature}, volume = {589}, number = {7843}, year = {2021}, note = {n/a}, month = {jan}, pages = {527{\textendash}531}, publisher = {Springer Science and Business Media {LLC}}, abstract = {n/a}, doi = {10.1038/s41586-021-03183-1}, url = {https://doi.org/10.1038\%2Fs41586-021-03183-1}, author = {Krauth, Julian J and Schuhmann, Karsten and Ahmed, Marwan Abdou and Amaro, Fernando D. and Amaro, Pedro and Biraben, Fran{\c c}ois and Chen, Tzu-Ling and Covita, Daniel S. and Dax, Andreas J and Diepold, Marc and Fernandes, Luis M. P. and Franke, Beatrice and Galtier, Sandrine and Gouvea, Andrea L and Johannes G{\~A}{\textparagraph}tzfried and Graf, Thomas and Theodor W. H{\~A}¤nsch and Jens Hartmann and Hildebrandt, Malte and Indelicato, Paul and Julien, Lucile and Kirch, Klaus and Knecht, Andreas and Liu, Yi-Wei and Machado, Jorge and Monteiro, Cristina M. B. and Mulhauser, Fran{\c c}oise and Naar, Boris and Nebel, Tobias and Nez, Fran{\c c}ois and dos Santos, Joaquim M. F. and Jos{\'e} Paulo Santos and Szabo, Csilla I and Taqqu, David and Veloso, Jo{\~a}o F. C. A. and Jan Vogelsang and Voss, Andreas and Weichelt, Birgit and Pohl, Randolf and Antognini, Aldo and Kottmann, Franz} } @article {Amaro_2021, title = {Stabilization method with the relativistic configuration-interaction calculation applied to two-electron resonances}, journal = {Physical Review A}, volume = {103}, number = {1}, year = {2021}, note = {n/a}, month = {jan}, publisher = {American Physical Society ({APS})}, abstract = {n/a}, doi = {10.1103/physreva.103.012811}, url = {https://doi.org/10.1103\%2Fphysreva.103.012811}, author = {P Amaro and J P Santos and Bhattacharyya, S and Mukherjee, T K and Saha, J. K.} } @article {Ensina_2021, title = {Analysis of human tissues using Energy Dispersive X Ray Fluorescence {\textendash} Dark matrix determination for the application to cancer research}, journal = {Journal of Trace Elements in Medicine and Biology}, volume = {68}, year = {2021}, note = {n/a}, month = {dec}, pages = {126837}, publisher = {Elsevier {BV}}, abstract = {n/a}, doi = {10.1016/j.jtemb.2021.126837}, url = {https://doi.org/10.1016\%2Fj.jtemb.2021.126837}, author = {Ana Ensina and Patr{\'{\i}}cia M. Carvalho and Machado, Jorge and Maria Lu{\'{\i}}sa Carvalho and Diogo Casal and Diogo Pais and Jos{\'e} Paulo Santos and Ant{\'o}nio A. Dias and Pessanha, Sofia} } @book {6d0410dbbefe4eda8d73e05236c4b2ec, title = {Cultura Material, Cultura Cient{\'\i}fica: Patrim{\'o}nio Industrial para o Futuro}, year = {2021}, note = {

IH4Future (PTDC/FIS-aQM/30292/2017

}, month = {dec}, publisher = {Faculdade de Ci{\^e}ncias e Tecnologia, Universidade Nova de Lisboa}, organization = {Faculdade de Ci{\^e}ncias e Tecnologia, Universidade Nova de Lisboa}, address = {Portugal}, abstract = {

Material, Culture, Scientific Culture: Industrial Heritage for the Future

}, doi = {10.34619/e4vd-p551}, author = {Alison Wain and Diogo Castro and Rollo, {Maria Fernanda} and Frederico Nogueira and Gon{\c c}alo Santos and Filipe, {Maria da Gra{\c c}a} and Tissot, Isabel and Sampaio, {Jorge Miguel} and Santos, {Jos{\'e} Paulo} and Manuel Lemos and Marta Manso and Matthias Tissot and Guerra, Mauro and Miles Oglethorpe and Amaro, Pedro and Pedro Pedroso and Silva, Rui and Pessanha, Sofia and Silva, {Tiago A. N.}} } @article {J._P._Santos_105402591, title = {Application of Unsupervised Multivariate Analysis Methods to Raman Spectroscopic Assessment of Human Dental Enamel}, journal = {Computers}, year = {2021}, note = {n/a}, abstract = {n/a}, doi = {10.3390/computers11010005}, url = {http://doi.org/10.3390/computers11010005}, author = {J P Santos and Iulian Otel and Joao Silveira and Vassilenko, Valentina and Ant{\'o}nio Mata and Maria Lu{\'\i}sa Carvalho and Jos{\'e} Paulo Santos and Pessanha, Sofia} } @article {a16d03ef21ef44ff8999f7aedaeec888, title = {Elemental mapping of Portuguese ceramic pieces with a full-field XRF scanner based on a 2D-THCOBRA detector}, journal = {European Physical Journal Plus}, volume = {136}, number = {4}, year = {2021}, note = {

info:eu-repo/grantAgreement/FCT/3599-PPCDT/PTDC\%2FFIS-AQM\%2F32536\%2F2017/PT$\#$ info:eu-repo/grantAgreement/FCT/3599-PPCDT/PTDC\%2FFIS-AQM\%2F32536\%2F2017/PT$\#$ info:eu-repo/grantAgreement/FCT/FARH/PD\%2FBD\%2F128324\%2F2017/PT$\#$ UID/FIS/04559/2020

}, publisher = {Springer Science + Business Media}, abstract = {

In this work, we present a novel application of the full-field energy-dispersive X-ray fluorescence (EDXRF) imaging system based on a MicroPattern Gaseous Detector (2D-THCOBRA) in the cultural heritage field. The detector has an intrinsic imaging capability with spatial resolution of 400μmFWHM, and is energy sensitive, presenting an energy resolution of approximately 1keVFWHM at 5.9keV. The full-field XRF scanner based on the 2D-THCOBRA detector allows mapping the distribution of elements in large area samples with high detection efficiency (75 \% at 5.9keV), being a very promising choice for elemental mapping analysis of large area cultural heritage samples. In this work, we have demonstrated the imaging capabilities of the full-field XRF scanner and used it to assess the restoration of a Portuguese faience piece.

}, issn = {2190-5444}, doi = {10.1140/epjp/s13360-021-01422-y}, author = {Carvalho, {Patr{\'\i}cia Miguel da Silva} and F{\'a}bio Leite and Silva, {A. L. M.} and Pessanha, Sofia and Carvalho, {Maria Lu{\'\i}sa} and Veloso, {Jo{\~a}o F. C. A.} and Santos, {Jos{\'e} Paulo}} } @article {J._P._Santos_87568685, title = {Fundamental Parameters Related to Selenium K\alpha and K\beta Emission X-ray Spectra}, journal = {Atoms}, year = {2021}, note = {n/a}, abstract = {n/a}, doi = {10.3390/atoms9010008}, url = {http://doi.org/10.3390/atoms9010008}, author = {J P Santos and Guerra, Mauro and Jorge M. Sampaio and Gon{\c c}alo R. V{\'\i}lia and C{\'e}sar A. Godinho and Daniel Pinheiro and Amaro, Pedro and Jos{\'e} P. Marques and Machado, Jorge and Indelicato, Paul and Parente, Fernando and Jos{\'e} Paulo Santos} } @inbook {15670, title = {Medical Devices for Monitoring, Diagnosis and Rehabilitation}, year = {2021}, note = {n/a}, pages = {117{\textendash}130}, publisher = {Princ{\'\i}pia}, organization = {Princ{\'\i}pia}, abstract = {n/a} } @article {Togawa_2020, title = {Observation of strong two-electron{\textendash}one-photon transitions in few-electron ions}, journal = {Physical Review A}, volume = {102}, number = {5}, year = {2020}, note = {n/a}, month = {nov}, publisher = {American Physical Society ({APS})}, abstract = {n/a}, doi = {10.1103/physreva.102.052831}, url = {https://doi.org/10.1103\%2Fphysreva.102.052831}, author = {M. Togawa and S. K{\~A}{\textonequarter}hn and C. Shah and P Amaro and R. Steinbr{\~A}{\textonequarter}gge and J. Stierhof and N. Hell and M. Rosner and K. Fujii and M. Bissinger and R. Ballhausen and M. Hoesch and J. Seltmann and S. Park and F. Grilo and F. S. Porter and J P Santos and M. Chung and T. St{\~A}{\textparagraph}hlker and J. Wilms and T. Pfeifer and G. V. Brown and M. A. Leutenegger and S. Bernitt and J. R. Crespo L{\'o}pez-Urrutia} } @article {Ito_2020, title = {Structure of K$\upalpha$1,2- and K$\upbeta$1,3-emission x-ray spectra for Se, Y, and Zr}, journal = {Physical Review A}, volume = {102}, number = {5}, year = {2020}, note = {n/a}, month = {nov}, publisher = {American Physical Society ({APS})}, abstract = {n/a}, doi = {10.1103/physreva.102.052820}, url = {https://doi.org/10.1103\%2Fphysreva.102.052820}, author = {Ito, Y and Tochio, T and Yamashita, M and Fukushima, S and Vlaicu, A M and J. P. Marques and Sampaio, J M and M Guerra and J P Santos and Syrocki, {\L} and S{\l}abkowska, K and E. W{\`E}{\textcopyright}der and Polasik, M. and Rzadkiewicz, J. and P. Indelicato and M{\'e}nesguen, Y and M.-Ch. L{\'e}py and F. Parente} } @article {2add2220ccfc439789c9ae0a4f996245, title = {Accuracy improvement in XRF analysis for the quantification of elements ranging from tenths to thousands μg g-1in human tissues using different matrix reference materials}, journal = {Journal of Analytical Atomic Spectrometry}, volume = {35}, number = {12}, year = {2020}, note = {

UID/FIS/04559/2019 to LIBPhys-UNL from the FCT/MCTES/PIDDAC, Portugal. FCT contract No. PD/BD/128324/2017.

}, month = {dec}, pages = {2920{\textendash}2927}, publisher = {Royal Society of Chemistry}, abstract = {

In this work, we aim at achieving the most accurate quantitative determination of elements in human tissues by means of X-ray Fluorescence spectrometry using the external calibration approach. A calibration curve built using a set of certified reference materials (CRM) of animal tissue was compared with the one obtained with a set of CRMs of plants and leaves with lower atomic number Z but with correction of the matrix using the scattering peaks of the X-ray tube anode. Finally, a calibration curve combining the two sets of CRMs was built and the accuracy of the quantification using the three methods was compared and a more precise method of quantification was obtained. This improved approach was tested on five paired samples of normal and tumour human tissue. Despite the high heterogeneity of the samples, and given the improvement in accuracy of the measurements, significant differences were found in the elemental concentration of low-Z elements. This journal is

}, issn = {0267-9477}, doi = {10.1039/d0ja00307g}, author = {Machado, Jorge and Carvalho, {Patr{\'\i}cia M. S.} and Ana F{\'e}lix and Delfin Doutel and Santos, {Jos{\'e} Paulo} and Carvalho, {Maria Lu{\'\i}sa} and Pessanha, Sofia} } @article {Carvalho_2020, title = {Energy dispersive X-ray fluorescence quantitative analysis of biological samples with the external standard method}, journal = {Spectrochimica Acta Part B: Atomic Spectroscopy}, volume = {174}, year = {2020}, note = {n/a}, month = {dec}, pages = {105991}, publisher = {Elsevier {BV}}, abstract = {n/a}, doi = {10.1016/j.sab.2020.105991}, url = {https://doi.org/10.1016\%2Fj.sab.2020.105991}, author = {Patr{\'{\i}}cia M.S. Carvalho and Pessanha, Sofia and Machado, Jorge and Ana Lu{\'{\i}}sa Silva and Jo{\~a}o Veloso and Diogo Casal and Diogo Pais and Jos{\'e} Paulo Santos} } @article {J._P._Santos_66759552, title = {HCI 2018}, journal = {X-Ray Spectrometry}, year = {2020}, note = {n/a}, abstract = {n/a}, issn = {0049-8246}, doi = {10.1002/xrs.3133}, url = {http://doi.org/10.1002/xrs.3133}, author = {J P Santos} } @article {4db5f346cc274dd7bfd4d13131e9bc4c, title = {Mineral Content of Food Supplements of Plant Origin, by Energy Dispersive X-ray Fluorescence: A Risk Assessment}, journal = {Exposure and Health}, volume = {12}, number = {4}, year = {2020}, note = {

info:eu-repo/grantAgreement/FCT/5876/147413/PT$\#$ Fundacao para a Ciencia e Tecnologia (FCT) through the research center Grants (LIBPhys-UNL) UID/GEO/04035/2019 (GeoBioTech); UID/AGR/04129/2019 (LEAF).

}, pages = {917{\textendash}927}, publisher = {Springer Netherlands}, abstract = {

The aim of this study is to evaluate the elemental composition of six food supplements of plant origin, commonly sold in the Portuguese market, by energy dispersive X-ray fluorescence. The presence of arsenic in all the Maca, Ashwagandha, Camu-Camu and Hemp protein samples (except the generic form) is a reason of concern due to the long-term effects of As mainly in its inorganic form. Thus, great caution must be taken on some food supplements, particularly the cases of Moringa from Egypt and Yellow/Xpresso Maca, whose inorganic As concentrations are in line with the upper bound concentration for the 95th dietary exposure according to the European Food Safety Authority which is 0.64 μg/kg bw/day. In what regards Hemp protein, if the supplier{\textquoteright}s daily intake recommendation (30 g) is followed, values as high as 1.75 μg/kg bw/day of inorganic As will be consumed, which are dangerously above the upper bound. In this case this specific supplement lot should be removed from the market. Also the consumption of Hemp protein leads to a daily intake of Mn above the Daily Reference Intake (DRI) and Adequate Intakes (AIs) for adults. The contamination of Goji berries by Pb is a reason for concern{\textemdash}organic berries contained 11.3 μg/g while berries derived from conventional agriculture 11.6 μg/g, leading to daily intake doses of 315.3 μg and 324.8 μg, respectively, if the recommended daily intake of 28 g is followed. Our findings point out to an inadequacy of the recommended intakes by the supplier vis a vis the concentrations observed, greatly increasing the risk for public health.

}, keywords = {Food supplements, Mineral composition, Risk assessment, X-ray fluorescence}, issn = {2451-9766}, doi = {10.1007/s12403-020-00354-9}, author = {Reboredo, {Fernando Henrique} and A. Barbosa and Silva, {Maria Manuela} and Carvalho, {Maria Luisa} and Santos, {Jos{\'e} Paulo} and Pessoa, {Maria Fernanda} and Fernando Lidon and Ramalho, {Jos{\'e} C.} and Guerra, Mauro} } @article {J._P._Santos_66758902, title = {Multiconfiguration Dirac{\textendash}Fock calculations of Zn K-shell radiative and nonradiative transitions}, journal = {X-Ray Spectrometry}, year = {2020}, note = {n/a}, abstract = {n/a}, issn = {0049-8246}, doi = {10.1002/xrs.3089}, url = {http://doi.org/10.1002/xrs.3089}, author = {J P Santos} } @article {J._P._Santos_66764786, title = {Overview and calculation of X-ray K-shell transition yields for comprehensive data libraries}, journal = {X-Ray Spectrometry}, year = {2020}, note = {n/a}, abstract = {n/a}, issn = {0049-8246}, doi = {10.1002/xrs.3123}, url = {http://doi.org/10.1002/xrs.3123}, author = {J P Santos} } @article {J._P._Santos_75005553, title = {Reference-free measurements of the 1s2s2p2P1/2,3/2o\rightarrow1s22s2S1/2 and 1s2s2p4P5/2\rightarrow1s22s2S1/2 transition energies and widths in lithiumlike sulfur and argon ions}, journal = {Physical Review A}, year = {2020}, note = {n/a}, abstract = {n/a}, doi = {10.1103/PhysRevA.101.062505}, url = {http://doi.org/10.1103/PhysRevA.101.062505}, author = {J P Santos and Machado, J and Bian, Guojie and Nancy Paul and Trassinelli, M and P Amaro and M Guerra and Szabo, C. I. and Gumberidze, A. and Isac, J. M. and J P Santos and J. P. Desclaux and P. Indelicato} } @article {J._P._Santos_66758806, title = {Theoretical fluorescence yields and widths of the\\ K\\ shell and the\\ L\\ subshells, for the Ne, Ar, and Kr isoelectronic sequences}, journal = {X-Ray Spectrometry}, year = {2020}, note = {n/a}, abstract = {n/a}, issn = {0049-8246}, doi = {10.1002/xrs.3056}, url = {http://doi.org/10.1002/xrs.3056}, author = {J P Santos} } @article {Marques:2019fv, title = {Theoretical determination of K X-ray transition energy and probability values for highly charged (He- through B-like) Nd, Sm, Gd, Dy, Er, and Yb ions}, journal = {Radiat. Phys. Chem.}, volume = {154}, year = {2019}, note = {

n/a

}, pages = {17{\textendash}20}, abstract = {

n/a

}, author = {J. P. Marques and M. C. Martins and A. M. Costa and P. Indelicato and F. Parente and J P Santos} } @article {947bad94b0034a06b7c096fdb9409757, title = {Diagram, valence-to-core, and hypersatellite Kβ X-ray transitions in metallic chromium}, journal = {X-Ray Spectrometry}, volume = {48}, number = {5}, year = {2019}, note = {

info:eu-repo/grantAgreement/FCT/SFRH/SFRH\%2FBPD\%2F92455\%2F2013/PT$\#$ info:eu-repo/grantAgreement/FCT/5876/147413/PT$\#$ info:eu-repo/grantAgreement/FCT/5876/147256/PT$\#$ The financial support of the Swiss National Science Foundation (Grant No. 200020-146739) is acknowledged by F.?Z., J.?H., and J.-Cl.?D. M.?G. acknowledges the support of the FCT, under the Contract No. SFRH/BPD/92455/2013 and the project PTDC/FIS-AQM/31969/2017, ?Ultra-high-accuracy X-ray spectroscopy of transition metal oxides and rare earths.? This work was also partly supported by the research center grants nos. UID/FIS/04559/2013 to LIBPhys-UNL, and UID/MULTI/04046/2013 to BioISI, from the FCT/MCTES/PIDDAC.

}, pages = {351{\textendash}359}, publisher = {John Wiley \& Sons, Ltd.}, abstract = {

We report on measurements of the Kβ diagram, valence-to-core (VtC), and hypersatellite X-ray spectra induced in metallic Cr by photon single and double K-shell ionization. The experiment was carried out at the Stanford Synchrotron Radiation Lightsource using the seven-crystal Johann-type hard X-ray spectrometer of the beamline 6-2. For the Kβ diagram and VtC transitions, the present study confirms the line shape features observed in previous works, whereas the K h β hypersatellite transition was found to exhibit a complex spectral line shape and a characteristic low-energy shoulder. The energy shift of the hypersatellite relative to the parent diagram line was deduced from the measurements and compared with the result of extensive multiconfiguration Dirac{\textendash}Fock (MCDF) calculations. A very good agreement between experiment and theory was found. The MCDF calculations were also used to compute the theoretical line shape of the hypersatellite. A satisfactory agreement was obtained between the overall shapes of the experimental and theoretical spectra, but deviations were observed on the low- and high-energy flanks of the hypersatellite line. The discrepancies were explained by chemical effects, which were not considered in the MCDF calculations performed for isolated atoms.

}, issn = {0049-8246}, doi = {10.1002/xrs.3019}, author = {Faisal Zeeshan and Joanna Hoszowska and Dousse, {Jean Claude} and Dimosthenis Sokaras and Weng, {Tsu Chien} and Roberto Alonso-Mori and Matjaz Kav{\v c}i{\v c} and Guerra, Mauro and Sampaio, {Jorge Miguel} and Parente, Fernando and Indelicato, Paul and Marques, {Jos{\'e} Pires} and Santos, {Jos{\'e} Paulo}} } @article {b76e31f069374d2fba26f6f48725ea38, title = {Precise x-ray energies of gadolinium determined by a combined experimental and theoretical approach}, journal = {Journal Of Quantitative Spectroscopy \& Radiative Transfer}, volume = {236}, year = {2019}, note = {

info:eu-repo/grantAgreement/FCT/5876/147413/PT$\#$ info:eu-repo/grantAgreement/FCT/5876/147256/PT$\#$ This work was also supported by the National Science Centre , Poland under grant number 2017/25/B/ST2/00901.

}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, abstract = {

We combined different experimental techniques with a theoretical approach to determine a consistent set of diagram lines energies and binding energies. We propose an original approach consisting in determining the mass attenuation coefficients in an energy range covering the L-, M- and N- absorption edges, including a detailed evaluation of the associated uncertainties, to derive precisely the binding energies. We investigated the Lα, Lβ and M spectra of Gd with an independantly calibrated high-resolution anti-parallel double-crystal x-ray spectrometer. All the lines were identified and found in excellent agreement with the binding energies previously derived. Morever, we identified for the first time M5-O2, M4-O2,3 and M4-N2,3 diagram lines.

}, keywords = {Diagram line energies, Mass attenuation coefficients}, issn = {0022-4073}, doi = {10.1016/j.jqsrt.2019.106585}, author = {M{\'e}nesguen, Y and L{\'e}py, {M. C.} and Ito, Y and Yamashita, M and Fukushima, S and Polasik, M. and S{\l}abkowska, K and Syrocki and E. Wȩder and P. Indelicato and Marques, {J. P.} and Sampaio, {J. M.} and M Guerra and F. Parente and Santos, {J. P.}} } @article {J._P._Santos_66757940, title = {Probing deep tissues with laser-induced thermotherapy using near-infrared light}, journal = {Lasers in Medical Science}, year = {2019}, note = {n/a}, abstract = {n/a}, issn = {0268-8921}, doi = {10.1007/s10103-019-02768-7}, url = {http://doi.org/10.1007/s10103-019-02768-7}, author = {J P Santos} } @article {J._P._Santos_66758876, title = {Relativistic electron impact ionization cross sections of carbon ions and application to an optically thin plasma}, journal = {Astronomy \& Astrophysics}, year = {2019}, note = {n/a}, abstract = {n/a}, issn = {0004-6361}, doi = {10.1051/0004-6361/201935337}, url = {http://doi.org/10.1051/0004-6361/201935337}, author = {J P Santos} } @article {J._P._Santos_60599727, title = {Revisiting the Fe xvii Line Emission Problem: Laboratory Measurements of the 3s{\textendash}2p and 3d{\textendash}2p Line-formation Channels}, journal = {The Astrophysical Journal}, year = {2019}, note = {n/a}, abstract = {n/a}, doi = {10.3847/1538-4357/ab2896}, url = {http://doi.org/10.3847/1538-4357/ab2896}, author = {J P Santos and Chintan Shah and Jos{\'e} R. Crespo L{\'o}pez-Urrutia and Ming Feng Gu and Thomas Pfeifer and Jos{\'e} Marques and Filipe Grilo and Jos{\'e} Paulo Santos and Amaro, Pedro} } @article {J._P._Santos_66757943, title = {Suitability of the Compton-to-Rayleigh ratio in X-ray fluorescence spectroscopy: hydroxyapatite-based materials characterization}, journal = {Journal of Analytical Atomic Spectrometry}, year = {2019}, note = {n/a}, abstract = {n/a}, issn = {0267-9477}, doi = {10.1039/c8ja00370j}, url = {http://doi.org/10.1039/c8ja00370j}, author = {J P Santos} } @article {Ito:2018ev, title = {Structure of high-resolution K$\beta$1,3 x-ray emission spectra for the elements from Ca to Ge}, journal = {Phys. Rev. A}, volume = {97}, number = {5}, year = {2018}, note = {

n/a

}, month = {may}, pages = {052505}, abstract = {

n/a

}, author = {Ito, Y and Tochio, T and Yamashita, M and Fukushima, S and Vlaicu, A M and Syrocki, {\L} and S{\l}abkowska, K and Weder, E and Polasik, M. and Sawicka, K and P. Indelicato and J. P. Marques and Sampaio, J M and M Guerra and J P Santos and F. Parente} } @article {Cardoso:2018cea, title = {Localization and distribution of Zn and Fe in grains of biofortified bread wheat lines through micro- and triaxial-X-ray fluorescence spectrometry}, journal = {Spectrochim. Acta Part B}, volume = {141}, number = {C}, year = {2018}, note = {

n/a

}, month = {mar}, pages = {70{\textendash}79}, abstract = {

n/a

}, author = {Cardoso, P and Mateus, T C and Velu, G and R. P. Singh and J P Santos and M. L. Carvalho and Louren{\c c}o, V M and Lidon, F and Reboredo, F and M Guerra} } @article {LIDON:2018gg, title = {{SELENIUM BIOFORTIFICATION OF RICE THROUGH FOLIAR APPLICATION WITH SELENITE AND SELENATE}}, journal = {Experimental Agriculture}, year = {2018}, note = {

n/a

}, month = {apr}, pages = {1{\textendash}15}, abstract = {

n/a

}, author = {LIDON, FERNANDO CEBOLA and OLIVEIRA, KARLIANA and GALHANO, CARLOS and Guerra, Mauro and RIBEIRO, MARIA MANUELA and PELICA, JO{\~A}O and PATACO, IN{\^E}S and RAMALHO, JOS{\'E} COCHICHO and LEIT{\~A}O, ANT{\'O}NIO EDUARDO and ALMEIDA, ANA SOFIA and CAMPOS, PAULA SCOTTI and Ribeiro-Barros, Ana and PAIS, ISABEL P and Silva, Maria Manuela and Carvalho, Maria Luisa and Santos, Jose Paulo and PESSOA, MARIA FERNANDA and REBOREDO, FERNANDO HENRIQUE} } @article {Guerra:2018jo, title = {{Theoretical and experimental determination of $K$- and $L$-shell x-ray relaxation parameters in Ni}}, journal = {Phys. Rev. A}, volume = {97}, year = {2018}, note = {n/a}, month = {apr}, pages = {042501}, abstract = {n/a}, author = {M Guerra and Sampaio, J M and F. Parente and P. Indelicato and H{\"o}nicke, P and Muller, M and Beckhoff, B and J. P. Marques and J P Santos} } @article {Pessanha:2018ea, title = {Comparison of standard-based and standardless methods of quantification used in X-ray fluorescence analysis: Application to the exoskeleton of clams}, journal = {X-Ray Spectrom.}, volume = {47}, number = {2}, year = {2018}, note = {

n/a

}, pages = {108{\textendash}115}, abstract = {

n/a

}, author = {Pessanha, S. and Fonseca, C and J P Santos and M. L. Carvalho and A. A. Dias} } @article {Menesguen:2018bs, title = {{A combined experimental and theoretical approach to determine X-ray atomic fundamental quantities of tin}}, journal = {X-Ray Spectrom.}, volume = {47}, number = {5}, year = {2018}, note = {n/a}, pages = {341{\textendash}351}, abstract = {n/a}, author = {M{\'e}nesguen, Y and L{\'e}py, M-C and Sampaio, J M and J. P. Marques and F. Parente and M Guerra and P. Indelicato and J P Santos and H{\"o}nicke, P and Beckhoff, B} } @article {Menesguen:2018dx, title = {{Experimental and theoretical determination of the L-fluorescence yields of bismuth}}, journal = {Metrologia}, volume = {55}, number = {5}, year = {2018}, note = {n/a}, pages = {621{\textendash}630}, abstract = {n/a}, author = {M{\'e}nesguen, Y and L{\'e}py, M-C and Sampaio, J M and J. P. Marques and F. Parente and M Guerra and P. Indelicato and J P Santos} } @article {Machado:2018ge, title = {{High-precision measurements of $n=2\rightarrow n=1$ transition energies and level widths in He- and Be-like argon ions}}, journal = {Phys. Rev.}, volume = {97}, number = {3}, year = {2018}, note = {n/a}, pages = {032517}, abstract = {n/a}, author = {Machado, J and Szabo, C. I. and J P Santos and P Amaro and M Guerra and Gumberidze, A. and Bian, Guojie and Isac, J. M. and P. Indelicato} } @article {Monteiro:2018hba, title = {{On the double peak structure of avalanche photodiode response to monoenergetic x-rays at various temperatures and bias voltages}}, journal = {J. Inst.}, volume = {13}, number = {01}, year = {2018}, note = {n/a}, pages = {C01033{\textendash}C01033}, abstract = {n/a}, author = {Monteiro, C M B and Amaro, F D and Sousa, M S and Abdou-Ahmed, M and P Amaro and Biraben, F. and Chen, T. and Covita, D S and Dax, A J and Diepold, M and Fernandes, L M P and Franke, B and Galtier, S and Gouv{\^e}a, A L and G{\"o}tzfried, J and Graf, T and Hansch, T W and Hildebrandt, M and P. Indelicato and Julien, L. and Kirch, K and Knecht, A and Kottmann, F and Krauth, J J and Liu, Y. and Machado, J and Mulhauser, F and Naar, B and Nebel, T and Nez, F. and Pohl, R and J P Santos and Santos, J M F dos and Schuhmann, K and Szabo, C. I. and Taqqu, D and Veloso, J F C A and Antognini, A} } @article {Amaro:2018cp, title = {{Quantum interference in laser spectroscopy of highly charged lithiumlike ions}}, journal = {Phys. Rev. A}, volume = {97}, year = {2018}, note = {n/a}, pages = {022510}, abstract = {n/a}, author = {Amaro, Pedro and Loureiro, Ulisses and Safari, Laleh and Fratini, Filippo and Indelicato, Paul and Stohlker, Thomas and Santos, Jose Paulo} } @article {deJMangueze:2018ie, title = {{Simultaneous Zinc and selenium biofortification in rice. Accumulation, localization and implications on the overall mineral content of the flour}}, journal = {Journal of Cereal Science}, volume = {82}, year = {2018}, note = {n/a}, pages = {34{\textendash}41}, abstract = {n/a}, author = {de J Mangueze, Adilson V and Pessoa, Maria F G and Silva, Maria J and Ndayiragije, Alexis and Magaia, Hil{\'a}rio E and Cossa, Viriato S I and Reboredo, Fernando H and Carvalho, Maria L and Santos, Jos{\'e} P and Guerra, Mauro and RIBEIRO-BARROS, ANA I and Lidon, Fernando C and Ramalho, Jos{\'e} C} } @article {Fratini:2018em, title = {{Two-photon processes based on quantum commutators}}, year = {2018}, note = {n/a}, pages = {1{\textendash}13}, abstract = {n/a}, author = {F. Fratini and Safari, L and P Amaro and J P Santos} } @article {12490, title = {Radiative transition rates of 1s2s(3S)3p levels for Li-like ions with 5 \<= Z \<= 10}, journal = {Nuclear Inst. and Methods in Physics Research, B}, volume = {408}, year = {2017}, note = {n/a}, month = {Oct 01}, pages = {100-102}, publisher = {Elsevier B.V.}, abstract = {

Nuclear Inst. and Methods in Physics Research, B, 408 (2017) 100-102. doi:10.1016/j.nimb.2017.04.015

}, url = {http://dx.doi.org/10.1016/j.nimb.2017.04.015}, author = {J P Santos and F. Parente and M. C. Martins and P. Indelicato and Benis, E P and Zouros, T J M and J. P. Marques} } @conference {12488, title = {Laser Spectroscopy of Muonic Atoms and Ions}, booktitle = {Proceedings of the 12th International Conference on Low Energy Antiproton Physics (LEAP2016)}, year = {2017}, note = {n/a}, month = {Nov 24}, pages = {1-12}, publisher = {Journal of the Physical Society of Japan}, organization = {Journal of the Physical Society of Japan}, abstract = {n/a}, isbn = {4-89027-125-2}, url = {http://journals.jps.jp/doi/10.7566/JPSCP.18.011021}, author = {Pohl, Randolf and Nez, Fran{\c c}ois and Fernandes, Luis M. P. and Ahmed, Marwan Abdou and Amaro, Fernando D. and Amaro, Pedro and Biraben, Fran{\c c}ois and Cardoso, Jo{\~a}o M. R. and Covita, Daniel S. and Dax, Andreas and Dhawan, Satish and Diepold, Marc and Franke, Beatrice and Galtier, Sandrine and Giesen, Adolf and Gouvea, Andrea L and G{\"o}tzfried, Johannes and Graf, Thomas and H{\"a}nsch, Theodor W. and Hildebrandt, Malte and Indelicato, Paul and Julien, Lucile and Kirch, Klaus and Knecht, Andreas and Knowles, Paul and Kottmann, Franz and Krauth, Julian J and Le Bigot, Eric-Olivier and Liu, Yi-Wei and Lopes, Jos{\'e} A. M. and Ludhova, Livia and Machado, Jorge and Monteiro, Cristina M. B. and Mulhauser, Fran{\c c}oise and Nebel, Tobias and Rabinowitz, Paul and dos Santos, Joaquim M. F. and Santos, Jose Paulo and Schaller, Lukas A. and Schuhmann, Karsten and Schwob, Catherine and Szabo, Csilla I and Taqqu, David and Veloso, Jo{\~a}o F. C. A. and Voss, Andreas and Weichelt, Birgit and Antognini, Aldo} } @article {12493, title = {Unveiling the Third Secret of F{\'a}tima: μ-XRF quantitative characterization and 2D elemental mapping}, journal = {Spectrochimica Acta Part B: Atomic Spectroscopy}, volume = {130}, year = {2017}, note = {n/a}, month = {Mar 31}, pages = {35-38}, publisher = {Elsevier B.V.}, abstract = {

Spectrochimica Acta Part B: Atomic Spectroscopy, 130 (2017) 35-38. doi:10.1016/j.sab.2017.02.006

}, url = {http://dx.doi.org/10.1016/j.sab.2017.02.006}, author = {Manso, M. and Pessanha, S. and M Guerra and Figueirinhas, J. L. and J P Santos and M. L. Carvalho} } @article {12494, title = {The investigation of K-shell fluorescence parameters of Zn-Fe alloys with different grain size and microstrain values}, journal = {X-Ray Spectrometry}, volume = {406}, year = {2017}, note = {n/a}, month = {Mar 14}, pages = {1481-10}, abstract = {

It is known that zinc alloys with iron group metals have better corrosion resistance than pure zinc. Owing to the corrosion resistance of these alloys, Zn{\textendash}Fe coatings are widely used in automotive industry...

}, url = {http://doi.wiley.com/10.1002/xrs.2763}, author = {Kup Aylikci, N and Sampaio, J M and Kahoul, A and Aylikci, V and Karahan, {\.I} H and M Guerra and J P Santos and J. P. Marques and Tirasoglu, E.} } @article {12495, title = {Determination of Nickel and Manganese Contaminants in Pharmaceutical Iron Supplements Using Energy Dispersive X-ray Fluorescence}, journal = {Applied Spectroscopy}, volume = {71}, number = {3}, year = {2017}, note = {n/a}, month = {Mar 13}, pages = {432-437}, abstract = {n/a}, url = {http://journals.sagepub.com/doi/10.1177/0003702816670912}, author = {Cardoso, Pedro and Amaro, Pedro and Santos, Jose Paulo and de Assis, Joaquim T and Carvalho, Maria Luisa} } @article {12491, title = {Relativistic calculations of screening parameters and atomic radii of neutral atoms}, journal = {Atomic Data and Nuclear Data Tables}, volume = {117-118}, year = {2017}, note = {n/a}, month = {Jul 14}, pages = {439-457}, publisher = {Elsevier Inc.}, abstract = {

Atomic Data and Nuclear Data Tables, 117-118 (2017) 439-457. doi:10.1016/j.adt.2017.01.001

}, url = {http://dx.doi.org/10.1016/j.adt.2017.01.001}, author = {M Guerra and P Amaro and J P Santos and P. Indelicato} } @article {12497, title = {Detection limits evaluation of a portable energy dispersive X-ray fluorescence setup using different filter combinations}, journal = {X-Ray Spectrometry}, volume = {46}, number = {2}, year = {2017}, note = {n/a}, month = {Jan 03}, pages = {102-106}, abstract = {

In this paper, we study the performance of a portable energy dispersive X-ray fluorescence spectrometer by making use of different filter configurations at the X-ray tube output. To fulfill this purpose,...

}, url = {http://doi.wiley.com/10.1002/xrs.2737}, author = {Pessanha, Sofia and Samouco, Ana and Ad{\~a}o, Ricardo and Carvalho, Maria Luisa and Santos, Jose Paulo and Amaro, Pedro}, editor = {Boman, Johan} } @article {12496, title = {Elemental mapping in a contemporary miniature by full-field X-ray fluorescence imaging with gaseous detector vs. scanning X-ray fluorescence imaging with polycapillary optics}, year = {2017}, note = {n/a}, month = {Feb 03}, pages = {1-7}, publisher = {Elsevier B.V.}, abstract = {

Spectrochimica Acta Part B: Atomic Spectroscopy, 129 (2016) 1-7. doi:10.1016/j.sab.2016.12.006

}, author = {Silva, A L M and Cirino, S and M. L. Carvalho and Manso, M. and Pessanha, S. and Azevedo, C D R and Carramate, L F N D and J P Santos and M Guerra and Veloso, J F C A} } @article {12492, title = {Validation of the Geant4 Monte Carlo package for X-ray fluorescence spectroscopy in triaxial geometry}, journal = {Spectrochimica Acta Part B: Atomic Spectroscopy}, volume = {130}, number = {C}, year = {2017}, note = {n/a}, month = {Apr 01}, pages = {60-66}, publisher = {Elsevier B.V.}, abstract = {

Spectrochimica Acta Part B: Atomic Spectroscopy, 130 (2017) 60-66. doi:10.1016/j.sab.2017.02.012

}, url = {http://dx.doi.org/10.1016/j.sab.2017.02.012}, author = {Amaro, Pedro and Santos, Jose Paulo and Samouco, Ana and Ad{\~a}o, Ricardo and Martins, Lu{\'\i}s Souto and Weber, Sebastian and Tashenov, Stanislav and Carvalho, Maria Luisa and Pessanha, Sofia} } @article {12498, title = {A novel portable energy dispersive X-ray fluorescence spectrometer with triaxial geometry}, journal = {J. Inst.}, volume = {12}, number = {01}, year = {2017}, note = {n/a}, pages = {P01014}, abstract = {n/a}, author = {Pessanha, S. and Alves, M. and Sampaio, J M and J P Santos and M. L. Carvalho and M Guerra} } @article {10145, title = {Determination of Nickel and Manganese Contaminants in Pharmaceutical Iron Supplements using Energy Dispersive X-ray Fluorescence.}, journal = {Applied Spectroscopy}, year = {2016}, note = {n/a}, month = {Sep 30}, abstract = {

In this study, we investigate the capability of energy dispersive X-ray fluorescence (EDXF) spectrometry in a triaxial geometry apparatus as a fast and nondestructive determination method of both dominant and contaminant elements in pharmaceutical iron supplements. The following iron supplements brands with their respective active ingredients were analyzed: Neutrofer f{\'o}lico (iron gylcinate), Anemifer (iron(II) sulfate monohydrate), Noripurum (iron(III)-hydroxide polymaltose complex), Sulferbel (iron(II) sulfate monohydrate), and Combiron F{\'o}lico (carbonyl iron). Although we observe a good agreement between the iron content obtained by the present method and that indicated in the supplement\'s prescribed dose, we observe contamination by manganese and nickel of up to 180 μg and 36 μg, respectively. These contents correspond to 7.2\% and 14.4\% of the permitted daily exposure of manganese and nickel, respectively, for an average adult individual as determined by the European Medicine Agency (EMEA). The method was successfully validated against the concentrations of several certified reference materials of biological light matrices with similar concentrations of contaminants. Moreover, we also validated our method by comparing the concentrations with those obtained with the inductively coupled plasma-atomic emission technique.

}, url = {http://asp.sagepub.com/content/early/2016/09/30/0003702816670912.abstract}, author = {Cardoso, Pedro and Amaro, Pedro and Santos, Jose Paulo and de Assis, Joaquim T and Carvalho, Maria Luisa} } @article {12503, title = {Laser Spectroscopy of Muonic Atoms and Ions}, journal = {JPS Conf. Proc.}, year = {2016}, note = {n/a}, month = {Sep 06}, pages = {1-12}, abstract = {n/a}, url = {https://mail.google.com/mail/u/0/}, author = {Pohl, R and CREMA Collaboration} } @article {10142, title = {Kα1,2x-ray linewidths, asymmetry indices, and [KM]shake probabilities in elements Ca to Ge and comparison with theory for Ca, Ti, and Ge}, journal = {Physical Review A}, volume = {94}, number = {4}, year = {2016}, note = {n/a}, month = {Oct 06}, pages = {042506-11}, abstract = {n/a}, url = {http://link.aps.org/doi/10.1103/PhysRevA.94.042506}, author = {Ito, Y and Tochio, T and Ohashi, H and Yamashita, M and Fukushima, S and Polasik, M. and S{\l}abkowska, K and Syrocki, {\L} and Szyma{\'n}ska, E and Rzadkiewicz, J. and P. Indelicato and J. P. Marques and M. C. Martins and J P Santos and F. Parente} } @article {10143, title = {Ground-state Land{\'e} \<span class=\"aps-inline-formula\"\>\<math xmlns=\"http://www.w3.org/1998/Math/MathML\"\>\<mi\>g\</mi\>\</math\>\</span\> factors for selected ions along the boron isoelectronic sequence}, journal = {Physical Review A}, volume = {94}, number = {4}, year = {2016}, note = {n/a}, month = {Oct 04}, pages = {042504}, publisher = {American Physical Society}, abstract = {

Land\'e $g$ factors for the fine-structure $1{s}^{2}2{s}^{2}2p\phantom{\rule{0.16em}{0ex}}^{2}P_{1/2}$ and $^{2}P_{3/2}$ levels in the boron isoelectronic sequence for selected $Z$ values have been calculated using the multiconfiguration Dirac-Fock method with both quantum-electrodynamic and electronic correlation corrections included. All-order Breit and vacuum polarization corrections were included in the calculation, with a fully optimized active set wave function. The results are compared with the available theoretical data, showing a very good agreement.

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.94.042504}, author = {J. P. Marques and P. Indelicato and F. Parente and Sampaio, J M and J P Santos} } @article {12500, title = {Ground-state Land{\'e} g factors for selected ions along the boron isoelectronic sequence}, journal = {Physical Review A}, volume = {94}, number = {4}, year = {2016}, note = {n/a}, month = {Oct 04}, pages = {042504}, publisher = {American Physical Society}, abstract = {

Land\'e $g$ factors for the fine-structure $1{s}^{2}2{s}^{2}2p\phantom{\rule{0.16em}{0ex}}^{2}P_{1/2}$ and $^{2}P_{3/2}$ levels in the boron isoelectronic sequence for selected $Z$ values have been calculated using the multiconfiguration Dirac-Fock method with both quantum-electrodynamic and electronic correlation corrections included. All-order Breit and vacuum polarization corrections were included in the calculation, with a fully optimized active set wave function. The results are compared with the available theoretical data, showing a very good agreement.

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.94.042504}, author = {J. P. Marques and P. Indelicato and F. Parente and Sampaio, J M and J P Santos} } @article {10144, title = {Relativistic calculations of K-, L- and M-shell X-ray production cross-sections by electron impact for Ne, Ar, Kr, Xe, Rn and Uuo}, journal = {Journal of Quantitative Spectroscopy and Radiative Transfer}, volume = {182}, number = {C}, year = {2016}, note = {n/a}, month = {Oct 01}, pages = {87-93}, publisher = {Elsevier}, abstract = {

Journal of Quantitative Spectroscopy and Radiative Transfer, 182 + (2016) 87-93. doi:10.1016/j.jqsrt.2016.05.012

}, url = {http://dx.doi.org/10.1016/j.jqsrt.2016.05.012}, author = {Sampaio, J M and Madeira, T I and M Guerra and F. Parente and P. Indelicato and J P Santos and J. P. Marques} } @article {12508, title = {Spectroscopic investigations of L-shell ionization in heavy elements by electron impact}, journal = {Journal of Quantitative Spectroscopy and Radiative Transfer}, volume = {174}, number = {C}, year = {2016}, note = {n/a}, month = {May 01}, pages = {79-87}, publisher = {Elsevier}, abstract = {

Journal of Quantitative Spectroscopy and Radiative Transfer, 174 + (2016) 79-87. doi:10.1016/j.jqsrt.2016.01.026

}, url = {http://dx.doi.org/10.1016/j.jqsrt.2016.01.026}, author = {Rahangdale, H V and Mitra, D and Das, P K and De, S. and M Guerra and J P Santos and Saha, S} } @article {10151, title = {Relativistic evaluation of the two-photon decay of the metastable 1s22s2p 3P0 state in berylliumlike ions with an effective-potential model}, journal = {Physical Review A}, volume = {93}, number = {3}, year = {2016}, note = {n/a}, month = {Mar 07}, pages = {032502-8}, publisher = {American Physical Society}, abstract = {

The two-photon $1{s}^{2}2s2p\phantom{\rule{0.16em}{0ex}}{}^{3}{P}_{0}\ensuremath{\rightarrow}1{s}^{2}{s}^{2}\phantom{\rule{0.16em}{0ex}}{}^{1}{S}_{0}$ transition in berylliumlike ions is investigated theoretically within a fully relativistic framework and a second-order perturbation theory. We focus our analysis on how electron correlation, as well as the negative-energy spectrum, can affect the forbidden $E1M1$ decay rate. For this purpose, we include the electronic correlation via an effective local potential and within a single-configuration-state model. Due to its experimental interest, evaluations of decay rates are performed for berylliumlike xenon and uranium. We find that the negative-energy contribution can be neglected at the present level of accuracy in the evaluation of the decay rate. On the other hand, if contributions of electronic correlation are not carefully taken into account, it may change the lifetime of the metastable state by up to 20\%. By performing a fully relativistic $jj$-coupling calculation, we find a decrease of the decay rate by two orders of magnitude compared to nonrelativistic $LS$-coupling calculations, for the selected heavy ions.

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.93.032502}, author = {Amaro, Pedro and Fratini, Filippo and Safari, Laleh and Machado, Jorge and Guerra, Mauro and Indelicato, Paul and Santos, Jose Paulo} } @article {10148, title = {Calculations of photo-induced X-ray production cross-sections in the energy range 1{\textendash}150~keV and average fluorescence yields for Zn, Cd and Hg}, journal = {Atomic Data and Nuclear Data Tables}, volume = {111-112}, year = {2016}, note = {n/a}, month = {Jun 14}, pages = {67-86}, publisher = {Elsevier Inc.}, abstract = {

Atomic Data and Nuclear Data Tables, 111-112 (2016) 67-86. doi:10.1016/j.adt.2016.02.001

}, url = {http://dx.doi.org/10.1016/j.adt.2016.02.001}, author = {Sampaio, J M and M Guerra and F. Parente and Madeira, T I and P. Indelicato and J P Santos and J. P. Marques} } @article {10149, title = {Elemental mapping of biofortified wheat grains using micro X-ray fluorescence}, journal = {Spectrochimica Acta Part B: Atomic Spectroscopy}, volume = {120}, year = {2016}, note = {n/a}, month = {Jun 01}, pages = {30-36}, publisher = {Elsevier B.V.}, abstract = {

Spectrochimica Acta Part B: Atomic Spectroscopy, 120 (2016) 30-36. doi:10.1016/j.sab.2016.03.014

}, url = {http://dx.doi.org/10.1016/j.sab.2016.03.014}, author = {Ramos, I and Pataco, I M and Mourinho, M P and Lidon, F and Reboredo, F and Pessoa, M F and M. L. Carvalho and J P Santos and M Guerra} } @article {10146, title = {Distribution of toxic elements in teeth treated with amalgam using μ-energy dispersive X-ray fluorescence}, journal = {Spectrochimica Acta Part B: Atomic Spectroscopy}, volume = {122}, year = {2016}, note = {n/a}, month = {Aug 01}, pages = {114-117}, publisher = {Elsevier B.V.}, abstract = {

Spectrochimica Acta Part B: Atomic Spectroscopy, 122 (2016) 114-117. doi:10.1016/j.sab.2016.06.006

}, url = {http://dx.doi.org/10.1016/j.sab.2016.06.006}, author = {M Guerra and Ferreira, C. and M. L. Carvalho and J P Santos and Pessanha, S.} } @article {10147, title = {Quantitative determinations and imaging in different structures of buried human bones from the XVIII-XIXth centuries by energy dispersive X-ray fluorescence {\textendash} Postmortem evaluation}, journal = {Talanta}, volume = {155}, number = {C}, year = {2016}, note = {n/a}, month = {Aug 01}, pages = {107-115}, publisher = {Elsevier}, abstract = {

Talanta, 155 + (2016) 107-115. doi:10.1016/j.talanta.2016.04.028

}, url = {http://dx.doi.org/10.1016/j.talanta.2016.04.028}, author = {D. Guimar{\~a}es and A. A. Dias and Carvalho, M. and M. L. Carvalho and J P Santos and Henriques, F R and Curate, F and Pessanha, S.} } @conference {12509, title = {Multiple Source Phototherapy in Breast Cancer: A Viability Study}, booktitle = {9th International Conference on Biomedical Electronics and Devices}, year = {2016}, note = {n/a}, month = {Apr 27}, pages = {247-250}, publisher = {SCITEPRESS - Science and and Technology Publications}, organization = {SCITEPRESS - Science and and Technology Publications}, abstract = {n/a}, isbn = {978-989-758-170-0}, url = {http://www.scitepress.org/DigitalLibrary/Link.aspx?doi=10.5220/0005794902470250}, author = {Lopes, A. and Gabriel, A and Machado, J and Ribeiro, P and Gomes, R and Coelho, Jo o M P and Silva, C O and Reis, C P and J P Santos and Vieira, P.} } @article {12511, title = {Engenharia na Medicina}, journal = {Gazeta M{\'e}dica}, volume = {3}, number = {2}, year = {2016}, note = {n/a}, pages = {50-53}, abstract = {n/a}, url = {http://www.gazetamedica.pt/index.php/24-gazeta-vol-3-n-2-abril-junho-2016/historia/26-engenharia-na-medicina}, author = {J P Santos} } @article {8067, title = {Energy levels, transition rates and lifetimes for Li-like ions with Z<= 10 in the 1 s2 s( 3S)3l states}, journal = {Journal of Physics: Conference Series}, volume = {635}, number = {5}, year = {2015}, note = {n/a}, month = {Sep 07}, pages = {052060-2}, abstract = {n/a}, url = {http://stacks.iop.org/1742-6596/635/i=5/a=052060?key=crossref.3568a03fe0ab0bd1d12e8ff6eedaaee5}, author = {J P Santos and J. P. Marques and M. C. Martins and P. Indelicato and Benis, E P and Zouros, T J M and F. Parente} } @article {8131, title = {K-shell width, fluorescence yield, and Kβ/ Kαintensity ratio calculation for Fe in the Dirac-Fock approach}, journal = {Journal of Physics: Conference Series}, volume = {635}, number = {9}, year = {2015}, note = {n/a}, month = {Sep 07}, pages = {092094-2}, abstract = {n/a}, url = {http://stacks.iop.org/1742-6596/635/i=9/a=092094?key=crossref.1f03c3c9dab68e01c2a6cfaba1c86bf5}, author = {J. P. Marques and M Guerra and F. Parente and J P Santos and P. Indelicato and Sampaio, J M} } @article {8089, title = {Relativistic calculations of atomic parameters in Ununoctium}, journal = {Journal of Physics: Conference Series}, volume = {635}, number = {9}, year = {2015}, note = {n/a}, month = {Sep 07}, pages = {092095-2}, abstract = {n/a}, url = {http://stacks.iop.org/1742-6596/635/i=9/a=092095?key=crossref.1c62be1496fbf6f148f3b54705766c5e}, author = {Sampaio, J M and M Guerra and Madeira, T I and F. Parente and P. Indelicato and J P Santos and J. P. Marques} } @article {8137, title = {Subshell resolved inner shell ionization cross-sections of High Z elements by electron impact}, journal = {Journal of Physics: Conference Series}, volume = {635}, number = {5}, year = {2015}, note = {n/a}, month = {Sep 07}, pages = {052001-2}, abstract = {n/a}, url = {http://stacks.iop.org/1742-6596/635/i=5/a=052001?key=crossref.97807aca7846506e6d30f8bce7e1385e}, author = {Rahangdale, H V and Mitra, D and M Guerra and J P Santos and Saha, S} } @article {8060, title = {Dirac-Fock calculations of K-, L-, and M-shell fluorescence and Coster-Kronig yields for Ne, Ar, Kr, Xe, Rn, and Uuo}, journal = {Physical Review A}, volume = {91}, number = {5}, year = {2015}, note = {n/a}, month = {May 28}, pages = {052507-7}, abstract = {n/a}, url = {http://link.aps.org/doi/10.1103/PhysRevA.91.052507}, author = {Sampaio, J M and Madeira, T I and M Guerra and F. Parente and J P Santos and P. Indelicato and J. P. Marques} } @article {8057, title = {Electron impact ionization cross-sections for few-electron uranium ions}, journal = {Journal of Physics B: Atomic, Molecular and Optical Physics}, volume = {48}, number = {14}, year = {2015}, note = {n/a}, month = {May 21}, pages = {1-5}, publisher = {IOP Publishing}, abstract = {

Journal of Physics B: Atomic, Molecular and Optical Physics, 48(2015) 144027. doi:10.1088/0953-4075/48/14/144027

}, url = {http://dx.doi.org/10.1088/0953-4075/48/14/144027}, author = {M Guerra and Th St{\"o}hlker and P Amaro and Machado, J and J P Santos} } @article {8102, title = {Analytical evaluation of atomic form factors: Application to Rayleigh scattering}, journal = {Journal of Mathematical Physics}, volume = {56}, number = {5}, year = {2015}, note = {n/a}, month = {May}, pages = {052105-9}, abstract = {n/a}, url = {http://scitation.aip.org/content/aip/journal/jmp/56/5/10.1063/1.4921227}, author = {Safari, L and J P Santos and P Amaro and Jankala, K and F. Fratini} } @article {8061, title = {Improved x-ray detection and particle identification with avalanche photodiodes}, journal = {Review of Scientific Instruments}, volume = {86}, number = {5}, year = {2015}, note = {n/a}, month = {May}, pages = {053102-7}, abstract = {n/a}, url = {http://scitation.aip.org/content/aip/journal/rsi/86/5/10.1063/1.4921195}, author = {Diepold, Marc and Fernandes, Luis M. P. and Machado, Jorge and Amaro, Pedro and Abdou-Ahmed, Marwan and Amaro, Fernando D. and Antognini, Aldo and Biraben, Fran{\c c}ois and Chen, Tzu-Ling and Covita, Daniel S. and Dax, Andreas J and Franke, Beatrice and Galtier, Sandrine and Gouvea, Andrea L and G{\"o}tzfried, Johannes and Graf, Thomas and H{\"a}nsch, Theodor W. and Hildebrandt, Malte and Indelicato, Paul and Julien, Lucile and Kirch, Klaus and Knecht, Andreas and Kottmann, Franz and Krauth, Julian J and Liu, Yi-Wei and Monteiro, Cristina M. B. and Mulhauser, Fran{\c c}oise and Naar, Boris and Nebel, Tobias and Nez, Fran{\c c}ois and Santos, Jose Paulo and dos Santos, Joaquim M. F. and Schuhmann, Karsten and Szabo, Csilla I and Taqqu, David and Veloso, Jo{\~a}o F. C. A. and Voss, Andreas and Weichelt, Birgit and Pohl, Randolf} } @article {8090, title = {Double KK excited states in highly charged sulphur}, journal = {Journal of Physics: Conference Series}, volume = {635}, year = {2015}, note = {

n/a

}, month = {Jun}, pages = {022071}, abstract = {

n/a

}, author = {P Amaro and J. P. Marques and P. Indelicato and Mukherjee, T K and Saha, J. K. and Tribedi, L C and J P Santos} } @article {8120, title = {Quantum interference shifts in laser spectroscopy with elliptical polarization}, journal = {Physical Review A}, volume = {92}, number = {6}, year = {2015}, note = {n/a}, month = {Dec 31}, pages = {062506-5}, abstract = {n/a}, url = {http://link.aps.org/doi/10.1103/PhysRevA.92.062506}, author = {Amaro, Pedro and Fratini, Filippo and Safari, Laleh and Antognini, Aldo and Indelicato, Paul and Pohl, Randolf and Santos, Jose Paulo} } @article {8118, title = {Evaluation of the effective solid angle of a hemispherical deflector analyser with injection lens for metastable Auger projectile states}, journal = {Nuclear Inst. and Methods in Physics Research, B}, volume = {365}, number = {Part B}, year = {2015}, note = {n/a}, month = {Dec 15}, pages = {457-461}, publisher = {Elsevier B.V.}, abstract = {

Nuclear Inst. and Methods in Physics Research, B, 365 (2015) 457-461. doi:10.1016/j.nimb.2015.07.006

}, url = {http://dx.doi.org/10.1016/j.nimb.2015.07.006}, author = {Benis, E P and Doukas, S and Zouros, T J M and P. Indelicato and F. Parente and C. Martins and J P Santos and J. P. Marques} } @article {8117, title = {Quantum interference effects in laser spectroscopy of muonic hydrogen, deuterium, and helium-3}, journal = {Physical Review A}, volume = {92}, number = {2}, year = {2015}, note = {n/a}, month = {Aug 28}, pages = {022514-7}, abstract = {n/a}, url = {http://link.aps.org/doi/10.1103/PhysRevA.92.022514}, author = {Amaro, Pedro and Franke, Beatrice and Krauth, Julian J and Diepold, Marc and Fratini, Filippo and Safari, Laleh and Machado, Jorge and Antognini, Aldo and Kottmann, Franz and Indelicato, Paul and Pohl, Randolf and Santos, Jose Paulo} } @article {8055, title = {Absolute L-shell ionization and X-ray production cross sections of Lead and Thorium by 16-45 keV electron impact }, year = {2015}, note = {n/a}, month = {Aug 26}, pages = {1-10}, abstract = {n/a}, author = {Rahangdale, H V} } @article {8079, title = {Theoretical and experimental determination of L-shell decay rates, line widths, and fluorescence yields in Ge}, journal = {Physical Review A}, volume = {92}, number = {2}, year = {2015}, note = {n/a}, month = {Aug 19}, pages = {022507-9}, abstract = {n/a}, url = {http://link.aps.org/doi/10.1103/PhysRevA.92.022507}, author = {M Guerra and Sampaio, J M and Madeira, T I and F. Parente and P. Indelicato and J. P. Marques and J P Santos and Hoszowska, J. and Dousse, J. Cl and Loperetti, L and Zeeshan, F and Muller, M and Unterumsberger, R and Beckhoff, B} } @article {8154, title = {Single differential electron impact ionization cross sections in the binary-encounter- Bethe approximation for the low binding energy regime}, journal = {Journal of Physics B: Atomic, Molecular and Optical Physics}, volume = {48}, number = {18}, year = {2015}, note = {n/a}, month = {Aug 03}, pages = {1-9}, publisher = {IOP Publishing}, abstract = {

Journal of Physics B: Atomic, Molecular and Optical Physics, 48(2015) 185202. doi:10.1088/0953-4075/48/18/185202

}, url = {http://dx.doi.org/10.1088/0953-4075/48/18/185202}, author = {M Guerra and P Amaro and Machado, J and J P Santos} } @article {8051, title = {Spatially resolved determination of toxic trace elements in plants of Panasqueira mining region using micro X-ray fluorescence}, journal = {Microscopy and Microanalysis}, volume = {21}, year = {2015}, note = {n/a}, month = {Aug}, pages = {54-55}, abstract = {n/a}, url = {http://journals.cambridge.org/article_S1431927614013944}, author = {M Guerra and P{\'e}-Leve Santos, S C and Barroso, A. M. E. and Fonseca, C. P. S. and Eloy Cruz, M and P Amaro and Figueirinhas, J. L. and M. L. Carvalho and J P Santos} } @article {8148, title = {Relativistic calculation of K-, L- and M-shell x-ray fluorescence yields for Ba}, journal = {Physica Scripta}, volume = {90}, number = {5}, year = {2015}, note = {n/a}, month = {Apr 22}, pages = {1-3}, publisher = {IOP Publishing}, abstract = {

Physica Scripta, 90(2015) 054009. doi:10.1088/0031-8949/90/5/054009

}, url = {http://dx.doi.org/10.1088/0031-8949/90/5/054009}, author = {Madeira, T I and Sampaio, J M and M Guerra and F. Parente and P. Indelicato and J P Santos and J. P. Marques} } @article {8054, title = {Experimental and theoretical determination of the Kα2/Kα1 intensity ratio for zinc}, journal = {Journal of Quantitative Spectroscopy andRadiative Transfer}, volume = {151}, year = {2015}, note = {n/a}, pages = {295-299}, abstract = {

X-ray intensity ratios, such as the Kα2/Kα1 ratio, are parameters with a large application in atomic physics and related scientific and technological areas. D.

}, url = {http://dx.doi.org/10.1016/j.jqsrt.2014.10.013}, author = {Ito, Y and Tochio, T and Fukushima, S and Taborda, A and Sampaio, J M and J. P. Marques and F. Parente and P. Indelicato and J P Santos} } @article {8064, title = {Modified Binary-Encounter-Bethe Model for Electron Impact Ionization Cross Sections of Highly Charged Ions }, journal = {Journal of Physics: Conference Series}, volume = {635}, year = {2015}, note = {n/a}, pages = {052067}, abstract = {n/a}, url = {X}, author = {M Guerra and P Amaro and Machado, J and J P Santos} } @article {8072, title = {Relativistic calculations of M-shell photoionization and X-ray production cross-sections for Hg at 5.96 keV excitation energy}, journal = {Radiation Physics and Chemistry}, volume = {107}, year = {2015}, note = {n/a}, pages = {36}, abstract = {

In this work we calculate photoionization and X-ray production cross-sections (XPCS) of M-shell vacancies in Hg at incident photon energy of 5.96 keV (low.

}, url = {http://www.sciencedirect.com/science/article/pii/S0969806X14003740}, author = {Sampaio, J M and Madeira, T I and F. Parente and P. Indelicato and J P Santos and J. P. Marques} } @article {6847, title = {Theoretical determination of K X-ray transition energy and probability values for highly charged ions of lanthanum and cerium}, journal = {The European Physical Journal D}, volume = {68}, number = {9}, year = {2014}, note = {n/a}, month = {Sep 11}, pages = {244}, abstract = {n/a}, url = {http://link.springer.com/10.1140/epjd/e2014-50300-7}, author = {Santos, Jose Paulo and Martins, Maria Concei{\c c}{\~a}o and Costa, Ana Maria and Marques, Jos{\'e} Pires and Indelicato, Paul and Parente, Fernando} } @article {8083, title = {Theoretical determination of K X-ray transition energy and probability values for highly charged ions of lanthanum and cerium}, journal = {The European Physical Journal D}, volume = {68}, number = {9}, year = {2014}, note = {n/a}, month = {Sep 11}, pages = {244}, abstract = {n/a}, url = {http://link.springer.com/10.1140/epjd/e2014-50300-7}, author = {Santos, Jose Paulo and Martins, Maria Concei{\c c}{\~a}o and Costa, Ana Maria and Marques, Jos{\'e} Pires and Indelicato, Paul and Parente, Fernando} } @article {6848, title = {Analytical evidence of heterogeneous lead accumulation in the hypothalamic defence area and nucleus tractus solitarius.}, journal = {NeuroToxicology}, volume = {44}, year = {2014}, note = {n/a}, month = {Sep}, pages = {91-97}, abstract = {

Lead is a potent toxicant associated with adverse cardiovascular effects and hypertension in children. Yet, few studies have determined if autonomic dysfunction associated with lead exposure involves brain regions which regulate autonomic responses. Central autonomic nuclei such as the nucleus tractus solitarius (NTS) and hypothalamic defence area (HDA) may be particularly sensitive to lead infiltration because they are adjacent to ventricles and areas with semi-permeable blood-brain-barriers. To understand if autonomic nuclei are sensitive to lead accumulation Wistar rats were exposed to lead from the gestational period and lead levels were quantified in brain regions that regulate arterial pressure: the NTS and the HDA. Energy dispersive X-ray fluorescence (EDXRF) was used to quantify total brain lead levels and revealed no differences between exposed and control tissues; measured values were close to the detection limit (2μg/g). Electrothermal atomic absorption spectrometry (ETAAS) was also used, which has a greater sensitivity, to quantify lead. There was \~{}2.1μg/g lead in the NTS and \~{}3.1μg/g lead in the HDA of exposed rats, and no lead in the control rats. There were greater lead levels in the HDA (\~{}50\%) as compared with the NTS. Pathology studies revealed more prominent lead granules in the HDA as compared with the NTS. Increased microglia and astrocyte activation was also noted in the NTS of lead exposed rats as compared with the HDA. Regional differences in neuro-inflammatory responses likely contribute to heterogeneous lead accumulation, with enhanced clearance of lead in the NTS. Future studies will resolve the mechanisms underpinning tissue-specific lead accumulation.

}, url = {http://linkinghub.elsevier.com/retrieve/pii/S0161813X14000916}, author = {D. Guimar{\~a}es and J P Santos and M. L. Carvalho and Diniz, M.S. and House, B and Miller, V M} } @article {8108, title = {Analytical evidence of heterogeneous lead accumulation in the hypothalamic defence area and nucleus tractus solitarius.}, journal = {NeuroToxicology}, volume = {44}, year = {2014}, note = {n/a}, month = {Sep}, pages = {91-97}, abstract = {

Lead is a potent toxicant associated with adverse cardiovascular effects and hypertension in children. Yet, few studies have determined if autonomic dysfunction associated with lead exposure involves brain regions which regulate autonomic responses. Central autonomic nuclei such as the nucleus tractus solitarius (NTS) and hypothalamic defence area (HDA) may be particularly sensitive to lead infiltration because they are adjacent to ventricles and areas with semi-permeable blood-brain-barriers. To understand if autonomic nuclei are sensitive to lead accumulation Wistar rats were exposed to lead from the gestational period and lead levels were quantified in brain regions that regulate arterial pressure: the NTS and the HDA. Energy dispersive X-ray fluorescence (EDXRF) was used to quantify total brain lead levels and revealed no differences between exposed and control tissues; measured values were close to the detection limit (2μg/g). Electrothermal atomic absorption spectrometry (ETAAS) was also used, which has a greater sensitivity, to quantify lead. There was \~{}2.1μg/g lead in the NTS and \~{}3.1μg/g lead in the HDA of exposed rats, and no lead in the control rats. There were greater lead levels in the HDA (\~{}50\%) as compared with the NTS. Pathology studies revealed more prominent lead granules in the HDA as compared with the NTS. Increased microglia and astrocyte activation was also noted in the NTS of lead exposed rats as compared with the HDA. Regional differences in neuro-inflammatory responses likely contribute to heterogeneous lead accumulation, with enhanced clearance of lead in the NTS. Future studies will resolve the mechanisms underpinning tissue-specific lead accumulation.

}, url = {http://linkinghub.elsevier.com/retrieve/pii/S0161813X14000916}, author = {D. Guimar{\~a}es and J P Santos and M. L. Carvalho and Diniz, M.S. and House, B and Miller, V M} } @article {8129, title = {Approach towards the critical charge of some excited states of the Be isoelectronic series}, journal = {Physical Review A}, volume = {90}, number = {5}, year = {2014}, note = {n/a}, month = {Nov 25}, pages = {052519-5}, abstract = {n/a}, url = {http://link.aps.org/doi/10.1103/PhysRevA.90.052519}, author = {Katriel, Jacob and J. P. Marques and P. Indelicato and A. M. Costa and M. C. Martins and J P Santos and F. Parente} } @article {6853, title = {Assessment of Essential Elements and Heavy Metals Content on Mytilus galloprovincialis from River Tagus Estuary.}, journal = {Biological Trace Element Research}, year = {2014}, note = {n/a}, month = {May 25}, abstract = {

Trace elemental content was analysed in edible tissues of Mytilus galloprovincialis collected in five different sampling areas near the mouth of river Tagus estuary in Lisbon. The concentrations of essential elements (S, K, Ca, Fe, Cu, Zn, As, Br and Sr) were determined by energy-dispersive X-ray fluorescence (EDXRF) spectrometry, while toxic elements (Cr, Cd, Hg, Se and Pb) were measured by inductively coupled plasma-atomic emission spectrometry (ICP-AES). The results show that the essential elements K and S are present at the highest concentrations in all the studied samples reaching 2,920 and 4,520~μg~g(-1) (fresh weight), respectively. The highest levels of heavy metals found were in two areas close to the city for Pb and Cd, but below the maximum allowed values.

}, url = {http://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed\&id=24763710\&retmode=ref\&cmd=prlinks}, author = {Santos, I and Diniz, M.S. and M. L. Carvalho and J P Santos} } @article {8109, title = {Determination of subshell-resolved \<span class=\"aps-inline-formula\"\>\<math\>\<mi\>L\</mi\>\</math\>\</span\>-shell-ionization cross sections of gold induced by 15{\textendash}40-keV electrons}, journal = {Physical Review A}, volume = {89}, number = {5}, year = {2014}, note = {n/a}, month = {May 14}, pages = {052708}, abstract = {n/a}, url = {http://link.aps.org/doi/10.1103/PhysRevA.89.052708}, author = {Rahangdale, H V and M Guerra and Das, P K and De, S. and J P Santos and Mitra, D and Saha, S} } @article {8095, title = {A vacuum double-crystal spectrometer for reference-free X-ray spectroscopy of highly charged ions}, journal = {Radiation Physics and Chemistry}, volume = {98}, number = {C}, year = {2014}, note = {n/a}, month = {May 01}, pages = {132-149}, publisher = {Elsevier}, abstract = {

Radiation Physics and Chemistry, 98 + (2014) 132-149. doi:10.1016/j.radphyschem.2014.01.015

}, url = {http://dx.doi.org/10.1016/j.radphyschem.2014.01.015}, author = {P Amaro and Szabo, C. I. and S. Schlesser and Gumberidze, A. and Kessler, E. G. and Henins, A. and Le Bigot, E. O. and Trassinelli, M and Isac, J. M. and Travers, P and M Guerra and J P Santos and P. Indelicato} } @article {6851, title = {Determination of subshell-resolved \<span class=\"aps-inline-formula\"\>\<math\>\<mi\>L\</mi\>\</math\>\</span\>-shell-ionization cross sections of gold induced by 15{\textendash}40-keV electrons}, journal = {Physical Review A}, volume = {89}, number = {5}, year = {2014}, note = {n/a}, month = {Jun 14}, pages = {052708}, abstract = {n/a}, url = {http://link.aps.org/doi/10.1103/PhysRevA.89.052708}, author = {Rahangdale, H V and M Guerra and Das, P K and De, S. and J P Santos and Mitra, D and Saha, S} } @article {6852, title = {A vacuum double-crystal spectrometer for reference-free X-ray spectroscopy of highly charged ions}, journal = {Radiation Physics and Chemistry}, volume = {98}, number = {C}, year = {2014}, note = {n/a}, month = {Jun 01}, pages = {132-149}, publisher = {Elsevier}, abstract = {

Radiation Physics and Chemistry, 98 + (2014) 132-149. doi:10.1016/j.radphyschem.2014.01.015

}, url = {http://dx.doi.org/10.1016/j.radphyschem.2014.01.015}, author = {P Amaro and Szabo, C. I. and S. Schlesser and Gumberidze, A. and Kessler, E. G. and Henins, A. and Le Bigot, E. O. and Trassinelli, M and Isac, J. M. and Travers, P and M Guerra and J P Santos and P. Indelicato} } @article {6849, title = {Angular and polarization analysis for two-photon decay of \<span class=\"aps-inline-formula\"\>\<math xmlns=\"http://www.w3.org/1998/Math/MathML\"\>\<mrow\>\<mn\>2\</mn\>\<mi\>s\</mi\>\</mrow\>\</math\>\&}, journal = {Physical Review A}, volume = {90}, number = {1}, year = {2014}, note = {n/a}, month = {Jul 29}, pages = {014502}, abstract = {

The amplitude of two-photon transitions between hyperfine states in hydrogenlike ions is derived based on the relativistic Dirac equation and second-order perturbation theory. We study angular and linear polarization properties of the photon pair emitted in the decay of $2s$ states, where spin-flip and non-spin-flip transitions are highlighted. We pay particular attention to hydrogenlike uranium, since it is an ideal candidate for investigating relativistic and high-multipole effects, such as spin-flip transitions. Two types of emission patterns are identified: (i) non-spin-flip transitions are found to be characterized by an angular distribution of the type $W($\theta${})$\sim${}1+{cos}^{2}$\theta${}$ while the polarizations of the emitted photons are parallel; and (ii) spin-flip transitions have somewhat smaller decay rates and are found to be characterized by an angular distribution of the type $W($\theta${})$\sim${}1$-${}1/3{cos}^{2}$\theta${}$ while the polarizations of the emitted photons are orthogonal, where $$\theta${}$ is the angle between photons directions. Deviations due to nondipole and relativistic contributions are evaluated for both types of transitions. This work is the first step toward exploring the effect of the nucleus over the angular and polarization properties of the photon pairs emitted by two-photon transitions.

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.90.014502}, author = {Safari, L and P Amaro and J P Santos and F. Fratini} } @article {8063, title = {Angular and polarization analysis for two-photon decay of \<span class=\"aps-inline-formula\"\>\<math xmlns=\"http://www.w3.org/1998/Math/MathML\"\>\<mrow\>\<mn\>2\</mn\>\<mi\>s\</mi\>\</mrow\>\</math\>\&}, journal = {Physical Review A}, volume = {90}, number = {1}, year = {2014}, note = {n/a}, month = {Jul 29}, pages = {014502}, abstract = {

The amplitude of two-photon transitions between hyperfine states in hydrogenlike ions is derived based on the relativistic Dirac equation and second-order perturbation theory. We study angular and linear polarization properties of the photon pair emitted in the decay of $2s$ states, where spin-flip and non-spin-flip transitions are highlighted. We pay particular attention to hydrogenlike uranium, since it is an ideal candidate for investigating relativistic and high-multipole effects, such as spin-flip transitions. Two types of emission patterns are identified: (i) non-spin-flip transitions are found to be characterized by an angular distribution of the type $W($\theta${})$\sim${}1+{cos}^{2}$\theta${}$ while the polarizations of the emitted photons are parallel; and (ii) spin-flip transitions have somewhat smaller decay rates and are found to be characterized by an angular distribution of the type $W($\theta${})$\sim${}1$-${}1/3{cos}^{2}$\theta${}$ while the polarizations of the emitted photons are orthogonal, where $$\theta${}$ is the angle between photons directions. Deviations due to nondipole and relativistic contributions are evaluated for both types of transitions. This work is the first step toward exploring the effect of the nucleus over the angular and polarization properties of the photon pairs emitted by two-photon transitions.

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.90.014502}, author = {Safari, L and P Amaro and J P Santos and F. Fratini} } @article {6850, title = {Quantized form factor shift in the presence of free electron laser radiation}, journal = {EPL (Europhysics Letters)}, volume = {107}, number = {1}, year = {2014}, note = {n/a}, month = {Jul 01}, pages = {13002}, publisher = {IOP Publishing}, abstract = {

In electron scattering, the target form factors contribute significantly to the diffraction pattern and carry information on the target electromagnetic charge distribution. Here we show that the presence of electromagnetic radiation, as intense as currently available in free electron lasers, shifts the dependence of the target form factors by a quantity that depends on the number of photons absorbed or emitted by the electron as well as on the parameters of the electromagnetic radiation. As example, we show the impact of intense ultraviolet and soft X-ray radiation on elastic electron scattering by the Ne-like argon ion and by the xenon atom. We find that the shift brought by the radiation to the form factor is of the order of some percent. Our results may open up a new avenue to explore matter with the assistance of laser.

}, url = {http://iopscience.iop.org/0295-5075/107/1/13002/article/}, author = {F. Fratini and Safari, L and Hayrapetyan, A G and Jankala, K and P Amaro and J P Santos} } @article {8145, title = {Quantized form factor shift in the presence of free electron laser radiation}, journal = {EPL (Europhysics Letters)}, volume = {107}, number = {1}, year = {2014}, note = {n/a}, month = {Jul 01}, pages = {13002}, publisher = {IOP Publishing}, abstract = {

In electron scattering, the target form factors contribute significantly to the diffraction pattern and carry information on the target electromagnetic charge distribution. Here we show that the presence of electromagnetic radiation, as intense as currently available in free electron lasers, shifts the dependence of the target form factors by a quantity that depends on the number of photons absorbed or emitted by the electron as well as on the parameters of the electromagnetic radiation. As example, we show the impact of intense ultraviolet and soft X-ray radiation on elastic electron scattering by the Ne-like argon ion and by the xenon atom. We find that the shift brought by the radiation to the form factor is of the order of some percent. Our results may open up a new avenue to explore matter with the assistance of laser.

}, url = {http://iopscience.iop.org/0295-5075/107/1/13002/article/}, author = {F. Fratini and Safari, L and Hayrapetyan, A G and Jankala, K and P Amaro and J P Santos} } @article {6846, title = {Relativistic Calculation of K-, L-, and M-Shell X-Ray Fluorescence Yields for Ba}, year = {2014}, note = {n/a}, month = {Dec 17}, pages = {1-5}, abstract = {n/a}, author = {Madeira, T I} } @article {8127, title = {Assessment of Essential Elements and Heavy Metals Content on Mytilus galloprovincialis from River Tagus Estuary.}, journal = {Biological Trace Element Research}, year = {2014}, note = {n/a}, month = {Apr 25}, abstract = {

Trace elemental content was analysed in edible tissues of Mytilus galloprovincialis collected in five different sampling areas near the mouth of river Tagus estuary in Lisbon. The concentrations of essential elements (S, K, Ca, Fe, Cu, Zn, As, Br and Sr) were determined by energy-dispersive X-ray fluorescence (EDXRF) spectrometry, while toxic elements (Cr, Cd, Hg, Se and Pb) were measured by inductively coupled plasma-atomic emission spectrometry (ICP-AES). The results show that the essential elements K and S are present at the highest concentrations in all the studied samples reaching 2,920 and 4,520~μg~g(-1) (fresh weight), respectively. The highest levels of heavy metals found were in two areas close to the city for Pb and Cd, but below the maximum allowed values.

}, url = {http://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed\&id=24763710\&retmode=ref\&cmd=prlinks}, author = {Santos, I and Diniz, M.S. and M. L. Carvalho and J P Santos} } @article {8111, title = {High-resolution x-ray spectra from highly charged Si, S and Cl ions showing evidence of fluorescence active resonant states}, journal = {Journal of Physics: Conference Series}, volume = {488}, number = {13}, year = {2014}, note = {n/a}, month = {Apr 10}, pages = {132027-2}, publisher = {IOP Publishing}, abstract = {

We have measured the x-ray spectra from highly charged Si, S and Cl ions in collisions with thin foils using a high-resolution x-ray spectrometer. The observed lines have been assigned to various transitions in H-, He- and Li-like ions. For proper identification of line positions, the theoretical calculations have been carried out using a state-of-the-art MCDF code including QED effects, with which the experimental data is in excellent agreement. We have also observed, for the first time, x-rays arising out of the decay of long-lived resonant states in the He-like ions of each species. Details will be presented.

}, url = {http://stacks.iop.org/1742-6596/488/i=13/a=132027?key=crossref.ca3a558053867d6b82a4342f9946cefd}, author = {Kasthurirangan, S and Saha, J. K. and Agnihotri, A. N. and Banerjee, A and Kumar, A and Misra, D and J P Santos and A. M. Costa and P. Indelicato and Mukherjee, T K and Tribedi, L C} } @article {6856, title = {Approaches for theoretical and experimental determinations of K-shell decay rates and fluorescence yields in Ge}, journal = {Physical Review A}, volume = {89}, number = {1}, year = {2014}, note = {n/a}, pages = {012512}, publisher = {APS}, abstract = {n/a}, url = {http://pra.aps.org/abstract/PRA/v89/i1/e012512}, author = {Sampaio, J M and Madeira, T I and J. P. Marques and F. Parente and A. M. Costa and P. Indelicato and J P Santos and L{\'e}py, M-C and M{\'e}nesguen, Y} } @article {8094, title = {Approaches for theoretical and experimental determinations of K-shell decay rates and fluorescence yields in Ge}, journal = {Physical Review A}, volume = {89}, number = {1}, year = {2014}, note = {n/a}, pages = {012512}, publisher = {APS}, abstract = {n/a}, url = {http://pra.aps.org/abstract/PRA/v89/i1/e012512}, author = {Sampaio, J M and Madeira, T I and J. P. Marques and F. Parente and A. M. Costa and P. Indelicato and J P Santos and L{\'e}py, M-C and M{\'e}nesguen, Y} } @article {6854, title = {Elemental characterization of plants and soils in Panasqueira tungsten mining region}, journal = {Journal of Soils Sediments}, volume = {14}, year = {2014}, note = {n/a}, pages = {778}, abstract = {

... Title Elemental characterization of plants and soils in Panasqueira tungsten mining region Journal Journal of Soils and Sediments Volume 14, Issue 4 , pp 778-784 Cover Date 2014-04-01 DOI 10.1007 / s11368 - 013 - 0788 - x Print ISSN 1439-0108 Online ISSN 1614-7480 ...

}, url = {http://link.springer.com/article/10.1007/s11368-013-0788-x}, author = {Santos, S. C. P. L. and Cruz, M. E. and Barroso, A. M. E. and Fonseca, C. P. S. and M Guerra and M. L. Carvalho and J P Santos} } @article {8069, title = {Elemental characterization of plants and soils in Panasqueira tungsten mining region}, journal = {Journal of Soils Sediments}, volume = {14}, year = {2014}, note = {n/a}, pages = {778}, abstract = {

... Title Elemental characterization of plants and soils in Panasqueira tungsten mining region Journal Journal of Soils and Sediments Volume 14, Issue 4 , pp 778-784 Cover Date 2014-04-01 DOI 10.1007 / s11368 - 013 - 0788 - x Print ISSN 1439-0108 Online ISSN 1614-7480 ...

}, url = {http://link.springer.com/article/10.1007/s11368-013-0788-x}, author = {Santos, S. C. P. L. and Cruz, M. E. and Barroso, A. M. E. and Fonseca, C. P. S. and M Guerra and M. L. Carvalho and J P Santos} } @article {6858, title = {Monte Carlo simulation of laser beams interaction with the human eye using Geant4}, journal = {BioMedical Engineering OnLine}, volume = {13}, number = {1}, year = {2014}, note = {n/a}, pages = {58}, abstract = {n/a}, url = {http://www.biomedical-engineering-online.com/content/13/1/58}, author = {Tendeiro, Diogo and Lopes, Gon{\c c}alo and Vieira, Pedro and Santos, Jose Paulo} } @article {8128, title = {Monte Carlo simulation of laser beams interaction with the human eye using Geant4}, journal = {BioMedical Engineering OnLine}, volume = {13}, number = {1}, year = {2014}, note = {n/a}, pages = {58}, abstract = {n/a}, url = {http://www.biomedical-engineering-online.com/content/13/1/58}, author = {Tendeiro, Diogo and Lopes, Gon{\c c}alo and Vieira, Pedro and Santos, Jose Paulo} } @conference {6857, title = {Monte Carlo Simulation of Radiation through the Human Retina Using Geant4}, volume = {41}, number = {Chapter 107}, year = {2014}, note = {n/a}, pages = {431-434}, publisher = {Springer International Publishing}, organization = {Springer International Publishing}, address = {Cham}, abstract = {n/a}, isbn = {978-3-319-00846-2}, url = {http://link.springer.com/10.1007/978-3-319-00846-2_107}, author = {Lopes, G and Tendeiro, D and J P Santos and Vieira, P.} } @conference {8105, title = {Monte Carlo Simulation of Radiation through the Human Retina Using Geant4}, volume = {41}, number = {Chapter 107}, year = {2014}, note = {n/a}, pages = {431-434}, publisher = {Springer International Publishing}, organization = {Springer International Publishing}, address = {Cham}, abstract = {n/a}, isbn = {978-3-319-00846-2}, url = {http://link.springer.com/10.1007/978-3-319-00846-2_107}, author = {Lopes, G and Tendeiro, D and J P Santos and Vieira, P.} } @article {6855, title = {Relativistic calculations of M-shell photoionization and X-ray production cross-sections for Hg at 5.96 keV excitation energy}, journal = {Radiation Physics and Chemistry}, volume = {107}, year = {2014}, note = {n/a}, pages = {36}, abstract = {

In this work we calculate photoionization and X-ray production cross-sections (XPCS) of M-shell vacancies in Hg at incident photon energy of 5.96 keV (low.

}, url = {http://www.sciencedirect.com/science/article/pii/S0969806X14003740}, author = {Sampaio, J M and Madeira, T I and F. Parente and P. Indelicato and J P Santos and J. P. Marques} } @article {5676, title = {Absolute measurements and simulations of x-ray line energies of highly charged ions with a double-crystal spectrometer}, volume = {T156}, year = {2013}, note = {n/a}, month = {Sep 23}, pages = {014104}, abstract = {n/a}, url = {http://stacks.iop.org/1402-4896/2013/i=T156/a=014104?key=crossref.fbaa38a1c4861ecbc3a487c810be06f2}, author = {P Amaro and S. Schlesser and M Guerra and Le Bigot, E and J P Santos and Szabo, C. I. and Gumberidze, A. and P. Indelicato} } @article {8052, title = {Absolute measurements and simulations of x-ray line energies of highly charged ions with a double-crystal spectrometer}, journal = {Physica Scripta}, volume = {T156}, year = {2013}, note = {n/a}, month = {Sep 23}, pages = {014104}, abstract = {n/a}, url = {http://stacks.iop.org/1402-4896/2013/i=T156/a=014104?key=crossref.fbaa38a1c4861ecbc3a487c810be06f2}, author = {P Amaro and S. Schlesser and M Guerra and Le Bigot, E and J P Santos and Szabo, C. I. and Gumberidze, A. and P. Indelicato} } @article {6862, title = {Ion temperature and x-ray line width measurements of highly charged argon ions in an ECR ion source}, journal = {Physica Scripta}, volume = {T156}, year = {2013}, note = {n/a}, month = {Sep 23}, pages = {014077}, abstract = {n/a}, url = {http://stacks.iop.org/1402-4896/2013/i=T156/a=014077?key=crossref.f2da41f889b9520c88b7506c96702da1}, author = {Szabo, C. I. and P Amaro and M Guerra and J P Santos and Gumberidze, A. and Attard, J and P. Indelicato} } @article {8156, title = {Ion temperature and x-ray line width measurements of highly charged argon ions in an ECR ion source}, journal = {Physica Scripta}, volume = {T156}, year = {2013}, note = {n/a}, month = {Sep 23}, pages = {014077}, abstract = {n/a}, url = {http://stacks.iop.org/1402-4896/2013/i=T156/a=014077?key=crossref.f2da41f889b9520c88b7506c96702da1}, author = {Szabo, C. I. and P Amaro and M Guerra and J P Santos and Gumberidze, A. and Attard, J and P. Indelicato} } @article {6861, title = {Transition probability values of the 1s 22s3p 3P 0level in Be-like ions}, journal = {Physica Scripta}, volume = {T156}, year = {2013}, note = {n/a}, month = {Sep 23}, pages = {014020}, abstract = {n/a}, url = {http://stacks.iop.org/1402-4896/2013/i=T156/a=014020?key=crossref.182cb63098e5f9d51f785868f187784d}, author = {J P Santos and J. P. Marques and A. M. Costa and M. C. Martins and P. Indelicato and F. Parente} } @article {8074, title = {Transition probability values of the 1s 22s3p 3P 0level in Be-like ions}, journal = {Physica Scripta}, volume = {T156}, year = {2013}, note = {n/a}, month = {Sep 23}, pages = {014020}, abstract = {n/a}, url = {http://stacks.iop.org/1402-4896/2013/i=T156/a=014020?key=crossref.182cb63098e5f9d51f785868f187784d}, author = {J P Santos and J. P. Marques and A. M. Costa and M. C. Martins and P. Indelicato and F. Parente} } @article {5678, title = {Elemental characterization of plants and soils in Panasqueira tungsten mining region}, volume = {Online}, year = {2013}, note = {n/a}, month = {Oct 16}, abstract = {n/a}, url = {http://link.springer.com/10.1007/s11368-013-0788-x}, author = {P{\'e}-Leve Santos, Sara C and Cruz, Mariana Eloy and Barroso, Ant{\'o}nio M E and Fonseca, Catarina P S and Guerra, Mauro and Carvalho, Maria Luisa and Santos, Jose Paulo} } @article {8124, title = {Euphysics News}, volume = {44}, number = {5}, year = {2013}, note = {n/a}, month = {Oct 07}, pages = {1-36}, abstract = {n/a}, author = {EPS} } @article {6864, title = {Towards the assignment of the REMPI spectrum of Ph 2O using CIS and TD-DFT methods}, journal = {Molecular Physics}, volume = {111}, number = {21}, year = {2013}, note = {n/a}, month = {May 09}, pages = {3311-3319}, abstract = {n/a}, url = {http://www.tandfonline.com/doi/abs/10.1080/00268976.2013.783638}, author = {M Guerra and R. M. Pinto and J P Santos and Paiva, A C S} } @article {8134, title = {Analysis of the charge state distribution in an ECRIS Ar plasma using high-resolution x-ray spectra}, journal = {Journal of Physics B: Atomic, Molecular and Optical Physics}, volume = {46}, number = {6}, year = {2013}, note = {n/a}, month = {Mar 01}, pages = {065701}, publisher = {IOP Publishing}, abstract = {

In this work, we obtained a charge state distribution inside an Ar plasma produced by an electron{\textendash}cyclotron-resonance ion source. The processes that lead to the observed lines in x-ray spectra are identified and included in the simulated x-ray spectrum. The geometrical constraints of the flat double crystal spectrometer, used to measure the x-ray spectrum, are investigated as they are crucial for correctly obtaining the ion densities from the observed transition amplitudes. Multiple electron impact ionization is included, and a realistic electron velocity distribution is taken into account. The charge state distribution of the Ar ions is compared to measured extracted ionic currents.

}, url = {http://iopscience.iop.org/0953-4075/46/6/065701/}, author = {M Guerra and P Amaro and Szabo, C. I. and Gumberidze, A. and P. Indelicato and J P Santos} } @article {6863, title = {Electron impact ionization cross sections of several ionization stages of Kr, Ar and Fe}, journal = {International Journal of Mass Spectrometry}, volume = {348}, year = {2013}, note = {n/a}, month = {Aug 15}, pages = {1-8}, publisher = {Elsevier B.V.}, abstract = {

International Journal of Mass Spectrometry, 348 (2013) 1-8. doi:10.1016/j.ijms.2013.02.011

}, url = {http://www.sciencedirect.com/science/article/pii/S1387380613000729}, author = {M Guerra and F. Parente and J P Santos} } @article {8103, title = {Electron impact ionization cross sections of several ionization stages of Kr, Ar and Fe}, journal = {International Journal of Mass Spectrometry}, volume = {348}, year = {2013}, note = {n/a}, month = {Aug 15}, pages = {1-8}, publisher = {Elsevier B.V.}, abstract = {

International Journal of Mass Spectrometry, 348 (2013) 1-8. doi:10.1016/j.ijms.2013.02.011

}, url = {http://www.sciencedirect.com/science/article/pii/S1387380613000729}, author = {M Guerra and F. Parente and J P Santos} } @article {8078, title = {Towards the assignment of the REMPI spectrum of Ph 2O using CIS and TD-DFT methods}, journal = {Molecular Physics}, volume = {111}, number = {21}, year = {2013}, note = {n/a}, month = {Apr 09}, pages = {3311-3319}, abstract = {n/a}, url = {http://www.tandfonline.com/doi/abs/10.1080/00268976.2013.783638}, author = {M Guerra and R. M. Pinto and J P Santos and Paiva, A C S} } @article {6865, title = {Analysis of the charge state distribution in an ECRIS Ar plasma using high-resolution x-ray spectra}, journal = {Journal of Physics B: Atomic, Molecular and Optical Physics}, volume = {46}, number = {6}, year = {2013}, note = {n/a}, month = {Apr 01}, pages = {065701}, publisher = {IOP Publishing}, abstract = {

In this work, we obtained a charge state distribution inside an Ar plasma produced by an electron{\textendash}cyclotron-resonance ion source. The processes that lead to the observed lines in x-ray spectra are identified and included in the simulated x-ray spectrum. The geometrical constraints of the flat double crystal spectrometer, used to measure the x-ray spectrum, are investigated as they are crucial for correctly obtaining the ion densities from the observed transition amplitudes. Multiple electron impact ionization is included, and a realistic electron velocity distribution is taken into account. The charge state distribution of the Ar ions is compared to measured extracted ionic currents.

}, url = {http://iopscience.iop.org/0953-4075/46/6/065701/}, author = {M Guerra and P Amaro and Szabo, C. I. and Gumberidze, A. and P. Indelicato and J P Santos} } @article {6867, title = {Observation of 2p3 d (1Po){\textrightarrow} 1s3d (1De) Radiative Transition in He-like Si, S, and Cl Ions}, journal = {Physical Review Letters}, volume = {111}, year = {2013}, note = {n/a}, pages = {243201}, abstract = {n/a}, url = {http://prl.aps.org/abstract/PRL/v111/i24/e243201}, author = {Kasthurirangan, S and Saha, J. K. and Agnihotri, A. N. and Bhattacharyya, S and Misra, D and Kumar, A and Mukherjee, P K and J P Santos and A. M. Costa and P. Indelicato and Mukherjee, T K and Tribedi, L C} } @article {8104, title = {Observation of 2p3 d (1Po){\textrightarrow} 1s3d (1De) Radiative Transition in He-like Si, S, and Cl Ions}, journal = {Physical Review Letters}, volume = {111}, year = {2013}, note = {n/a}, pages = {243201}, abstract = {n/a}, url = {http://prl.aps.org/abstract/PRL/v111/i24/e243201}, author = {Kasthurirangan, S and Saha, J. K. and Agnihotri, A. N. and Bhattacharyya, S and Misra, D and Kumar, A and Mukherjee, P K and J P Santos and A. M. Costa and P. Indelicato and Mukherjee, T K and Tribedi, L C} } @article {5671, title = {Reference free, high-precision measurements of transition energies in few electron argon ions}, journal = {AIP APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY: Twenty-Second International Conference}, volume = {1525}, number = {1}, year = {2013}, note = {

journal = {AIP Conference Proceedings}

}, pages = {68-72}, publisher = {AIP}, abstract = {

The use of a vacuum double crystal spectrometer, coupled to an electron-cyclotron resonance ion source (ECRIS), allows to measure low-energy x-ray transitions energies in highly-charged ions with accuracies of the order of a few parts per million. We have used this installation to measure the 1s2p 1 P1 - 1s2 1 S0 diagram line and the 1s2s 3 S1 - 1s2 1 S0 forbidden M1 transition energies in helium-like argon, the 1s2s2p 2 P j 1s2 2s 2 S1/2 transitions in lithium-like argon and the 1s2s2 2p 1 P1 - 1s2 2s2 1 S0 transition in beryllium-like argon. These transition measurements have accuracies between 2 and 4 ppm depending on the line intensity. Thanks to the excellent agreement between the simulations and the measurements, we were also able to measure the transition width of all the allowed transitions. The results are compared to recent QED and relativistic many-body calculations.

}, url = {http://link.aip.org/link/?APC/1525/68/1}, author = {Szabo, Csilla I and Amaro, Pedro and Guerra, Mauro and Schlesser, Sophie and Gumberidze, Alexander and Santos, Jose Paulo and Indelicato, Paul}, editor = {McDaniel, Floyd D and Doyle, Barney L and Glass, Gary A and Wang, Yongqiang} } @article {8076, title = {Reference free, high-precision measurements of transition energies in few electron argon ions}, journal = {AIP Conf. Proc.}, volume = {1525}, number = {1}, year = {2013}, note = {

journal = {AIP Conference Proceedings}

}, pages = {68-72}, publisher = {AIP}, abstract = {

The use of a vacuum double crystal spectrometer, coupled to an electron-cyclotron resonance ion source (ECRIS), allows to measure low-energy x-ray transitions energies in highly-charged ions with accuracies of the order of a few parts per million. We have used this installation to measure the 1s2p 1 P1 - 1s2 1 S0 diagram line and the 1s2s 3 S1 - 1s2 1 S0 forbidden M1 transition energies in helium-like argon, the 1s2s2p 2 P j 1s2 2s 2 S1/2 transitions in lithium-like argon and the 1s2s2 2p 1 P1 - 1s2 2s2 1 S0 transition in beryllium-like argon. These transition measurements have accuracies between 2 and 4 ppm depending on the line intensity. Thanks to the excellent agreement between the simulations and the measurements, we were also able to measure the transition width of all the allowed transitions. The results are compared to recent QED and relativistic many-body calculations.

}, url = {http://link.aip.org/link/?APC/1525/68/1}, author = {Szabo, Csilla I and Amaro, Pedro and Guerra, Mauro and Schlesser, Sophie and Gumberidze, Alexander and Santos, Jose Paulo and Indelicato, Paul}, editor = {McDaniel, Floyd D and Doyle, Barney L and Glass, Gary A and Wang, Yongqiang} } @unpublished {8140, title = {A vacuum double-crystal spectrometer for reference-free highly charged ions X-ray spectroscopy}, year = {2012}, note = {n/a}, month = {Oct 23}, pages = {1-22}, edition = {Submitted to Radiation Physics and Chemistry, Radiat. Phys. Chem.}, abstract = {n/a}, author = {P Amaro and Szabo, Csilla I} } @article {2897, title = {Lead in liver and kidney of exposed rats: Aging accumulation study.}, journal = {J. Trace Elem. Med Biol.}, volume = {26}, year = {2012}, note = {

n/a

}, month = {Oct}, pages = {285}, abstract = {

The concentration of lead in liver and kidneys of Wistar rats, fed with lead since fetal period in relation to their age and to a control group, was determined. A group of rats was exposed to lead acetate (n=30) in drinking water and the other group was exposed to normal water (n=20). Samples were collected from rats aging between 1 and 11 months and were analyzed by Energy Dispersive X-ray Fluorescence (EDXRF) without any chemical preparation. The EDXRF results were assessed by the PIXE (Proton Induced X-ray Emission) technique. The formaldehyde used to preserve the samples was also analyzed by ETAAS (Electro-Thermal Atomic Absorption Spectrometry) in order to verify if there was any loss of lead from the samples to the formaldehyde. We found that the loss was not significant (\<2\%). Concerning the mean values of the lead concentration measured in the contaminated soft tissues, in liver they range from 6 to 22μgg(-1), and in kidneys from 44 to 79μgg(-1). The control rats show, in general, values below the EDXRF detection limit (2μgg(-1)). The ratio kidney/liver ranges from 2 to 10 and is strongly positively correlated with the age of the animals. A Spearman correlation matrix to investigate the correlation between elemental concentrations and the dependence of these concentrations with age showed that there is a strong positive correlation with age for lead in the liver but not in the kidney. The correlation matrix showed also that the concentration of lead in these two soft tissues is not correlated. The lead accumulation in liver is made by different plateaus that strongly decrease with age. It was verified the existence of two levels of accumulation in kidney, not very highlighted, which might be indicative of a maximum accumulation level for lead in kidney.

}, url = {http://www.sciencedirect.com/science/article/pii/S0946672X12000090}, author = {Guimar{\~a}es, Diana and Carvalho, Maria Luisa and Geraldes, Vera and Rocha, Isabel and Alves, Lu{\'\i}s Cerqueira and Santos, Jose Paulo} } @article {8119, title = {Lead in liver and kidney of exposed rats: Aging accumulation study.}, journal = {Journal of Trace Elements in Medicine and Biology}, volume = {26}, year = {2012}, note = {n/a}, month = {Oct}, pages = {285}, abstract = {

The concentration of lead in liver and kidneys of Wistar rats, fed with lead since fetal period in relation to their age and to a control group, was determined. A group of rats was exposed to lead acetate (n=30) in drinking water and the other group was exposed to normal water (n=20). Samples were collected from rats aging between 1 and 11 months and were analyzed by Energy Dispersive X-ray Fluorescence (EDXRF) without any chemical preparation. The EDXRF results were assessed by the PIXE (Proton Induced X-ray Emission) technique. The formaldehyde used to preserve the samples was also analyzed by ETAAS (Electro-Thermal Atomic Absorption Spectrometry) in order to verify if there was any loss of lead from the samples to the formaldehyde. We found that the loss was not significant (\<2\%). Concerning the mean values of the lead concentration measured in the contaminated soft tissues, in liver they range from 6 to 22μgg(-1), and in kidneys from 44 to 79μgg(-1). The control rats show, in general, values below the EDXRF detection limit (2μgg(-1)). The ratio kidney/liver ranges from 2 to 10 and is strongly positively correlated with the age of the animals. A Spearman correlation matrix to investigate the correlation between elemental concentrations and the dependence of these concentrations with age showed that there is a strong positive correlation with age for lead in the liver but not in the kidney. The correlation matrix showed also that the concentration of lead in these two soft tissues is not correlated. The lead accumulation in liver is made by different plateaus that strongly decrease with age. It was verified the existence of two levels of accumulation in kidney, not very highlighted, which might be indicative of a maximum accumulation level for lead in kidney.

}, url = {http://www.sciencedirect.com/science/article/pii/S0946672X12000090}, author = {Guimar{\~a}es, Diana and Carvalho, Maria Luisa and Geraldes, Vera and Rocha, Isabel and Alves, Lu{\'\i}s Cerqueira and Santos, Jose Paulo} } @article {2896, title = {Parametrization of the angular correlation and degree of linear polarization in two-photon decays of hydrogenlike ions}, journal = {Phys. Rev. A}, volume = {86}, year = {2012}, note = {

PTDC/FIS/117606/2010

}, month = {Oct}, pages = {042509}, abstract = {

The spontaneous two-photon emission in hydrogenlike ions is investigated within the framework of second- order perturbation theory and Dirac{\textquoteright}s equation. Special attention is paid to the angular correlation of the emitted photons as well as to the degree of linear polarization of one of the two photons, if the second is just observed under arbitrary angles. Expressions for the angular correlation and the degree of linear polarization are expanded in powers of cosine functions of the two-photon opening angle, whose coefficients depend on the atomic number and the energy sharing of the emitted photons. The effects of including higher (electric and magnetic) multipoles upon the emitted photon pairs beyond the electric-dipole approximation are also discussed. Calculations of the coefficients are performed for the transitions 2s1/2 {\textrightarrow} 1s1/2, 3d3/2 {\textrightarrow} 1s1/2, and 3d5/2 {\textrightarrow} 1s1/2, along the entire hydrogen isoelectronic sequence (1

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.86.042509}, author = {P Amaro and F. Fratini and S. Fritzsche and P. Indelicato and J P Santos and A. Surzhykov} } @article {8144, title = {Parametrization of the angular correlation and degree of linear polarization in two-photon decays of hydrogenlike ions}, journal = {Physical Review A}, volume = {86}, year = {2012}, note = {

PTDC/FIS/117606/2010

}, month = {Oct}, pages = {042509}, abstract = {

The spontaneous two-photon emission in hydrogenlike ions is investigated within the framework of second- order perturbation theory and Dirac{\textquoteright}s equation. Special attention is paid to the angular correlation of the emitted photons as well as to the degree of linear polarization of one of the two photons, if the second is just observed under arbitrary angles. Expressions for the angular correlation and the degree of linear polarization are expanded in powers of cosine functions of the two-photon opening angle, whose coefficients depend on the atomic number and the energy sharing of the emitted photons. The effects of including higher (electric and magnetic) multipoles upon the emitted photon pairs beyond the electric-dipole approximation are also discussed. Calculations of the coefficients are performed for the transitions 2s1/2 {\textrightarrow} 1s1/2, 3d3/2 {\textrightarrow} 1s1/2, and 3d5/2 {\textrightarrow} 1s1/2, along the entire hydrogen isoelectronic sequence (1 Z 100).

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.86.042509}, author = {P Amaro and F. Fratini and S. Fritzsche and P. Indelicato and J P Santos and A. Surzhykov} } @article {2898, title = {Relativistic polarization analysis of Rayleigh scattering by atomic hydrogen}, journal = {Phys. Rev. A}, volume = {86}, year = {2012}, note = {

PTDC/FIS/117606/2010

}, month = {Oct}, pages = {043405}, abstract = {

A relativistic analysis of the polarization properties of light elastically scattered by atomic hydrogen is performed, based on the Dirac equation and second-order perturbation theory. The relativistic atomic states used for the calculations are obtained by making use of the finite basis set method and are expressed in terms of B splines and B polynomials. We introduce two experimental scenarios in which the light is circularly and linearly polarized, respectively. For each of these scenarios, the polarization-dependent angular distribution and the degrees of circular and linear polarization of the scattered light are investigated as a function of scattering angle and photon energy. Analytical expressions are derived for the polarization-dependent angular distribution which can be used for scattering by both hydrogenic as well as many-electron systems. Detailed computations are performed for Rayleigh scattering by atomic hydrogen within the incident photon energy range 0.5 to 5 keV. Particular attention is paid to the effects that arise from higher (nondipole) terms in the expansion of the electron-photon interaction.

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.86.043405}, author = {Safari, L and P Amaro and S. Fritzsche and J P Santos and Tashenov, S and F. Fratini} } @article {8115, title = {Relativistic polarization analysis of Rayleigh scattering by atomic hydrogen}, journal = {Physical Review A}, volume = {86}, year = {2012}, note = {

PTDC/FIS/117606/2010

}, month = {Oct}, pages = {043405}, abstract = {

A relativistic analysis of the polarization properties of light elastically scattered by atomic hydrogen is performed, based on the Dirac equation and second-order perturbation theory. The relativistic atomic states used for the calculations are obtained by making use of the finite basis set method and are expressed in terms of B splines and B polynomials. We introduce two experimental scenarios in which the light is circularly and linearly polarized, respectively. For each of these scenarios, the polarization-dependent angular distribution and the degrees of circular and linear polarization of the scattered light are investigated as a function of scattering angle and photon energy. Analytical expressions are derived for the polarization-dependent angular distribution which can be used for scattering by both hydrogenic as well as many-electron systems. Detailed computations are performed for Rayleigh scattering by atomic hydrogen within the incident photon energy range 0.5 to 5 keV. Particular attention is paid to the effects that arise from higher (nondipole) terms in the expansion of the electron-photon interaction.

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.86.043405}, author = {Safari, L and P Amaro and S. Fritzsche and J P Santos and Tashenov, S and F. Fratini} } @article {2895, title = {K X-Ray Energies and Transition Probabilities for He-, Li- and Be-like Praseodymium ions}, journal = {J. Phys.: Conf. Ser.}, volume = {388}, year = {2012}, note = {

n/a

}, month = {Nov 05}, pages = {152018}, abstract = {

Theoretical transition energies and probabilities for He-, Li and Be-like Praseodymium ions are calcu- lated in the framework of the multi-configuration Dirac-Fock method (MCDF), including QED corrections. These calculated values are compared to recent experimental data obtained in the Livermore SuperEBIT electron beam ion trap facility [1].

}, url = {http://stacks.iop.org/1742-6596/388/i=15/a=152018?key=crossref.8265da6718a145820c69db5780fcba57}, author = {J P Santos and A. M. Costa and M. C. Martins and P. Indelicato and F. Parente} } @article {8150, title = {K X-Ray Energies and Transition Probabilities for He-, Li- and Be-like Praseodymium ions}, journal = {Journal of Physics: Conference Series}, volume = {388}, year = {2012}, note = {n/a}, month = {Nov 05}, pages = {152018}, abstract = {

Theoretical transition energies and probabilities for He-, Li and Be-like Praseodymium ions are calcu- lated in the framework of the multi-configuration Dirac-Fock method (MCDF), including QED corrections. These calculated values are compared to recent experimental data obtained in the Livermore SuperEBIT electron beam ion trap facility [1].

}, url = {http://stacks.iop.org/1742-6596/388/i=15/a=152018?key=crossref.8265da6718a145820c69db5780fcba57}, author = {J P Santos and A. M. Costa and M. C. Martins and P. Indelicato and F. Parente} } @article {2894, title = {New expression for the K-shell ionization}, journal = {J. Phys.: Conf. Ser.}, volume = {388}, year = {2012}, note = {

n/a

}, month = {Nov 05}, pages = {042047}, abstract = {

A new expression for the total K-shell ionization cross section by electron impact based on the rela- tivistic extension of the binary encounter Bethe (RBEB) model, valid from ionization threshold up to relativistic energies, is proposed. The new MRBEB expression is used to calculate the K-shell ionization cross sections by electron impact for the selenium atom. Comparison with all, to our knowledge, available experimental data shows good agreement.

}, url = {http://stacks.iop.org/1742-6596/388/i=4/a=042047?key=crossref.9990322f261af791a8aa6f1bf7557637}, author = {J P Santos and M Guerra and F. Parente} } @article {8143, title = {New expression for the K-shell ionization}, journal = {Journal of Physics: Conference Series}, volume = {388}, year = {2012}, note = {n/a}, month = {Nov 05}, pages = {042047}, abstract = {

A new expression for the total K-shell ionization cross section by electron impact based on the rela- tivistic extension of the binary encounter Bethe (RBEB) model, valid from ionization threshold up to relativistic energies, is proposed. The new MRBEB expression is used to calculate the K-shell ionization cross sections by electron impact for the selenium atom. Comparison with all, to our knowledge, available experimental data shows good agreement.

}, url = {http://stacks.iop.org/1742-6596/388/i=4/a=042047?key=crossref.9990322f261af791a8aa6f1bf7557637}, author = {J P Santos and M Guerra and F. Parente} } @article {3079, title = {Decay of the 1s^{2}2s3p ^{3}P_{0} level in Be-like ions}, journal = {Phys. Rev. A}, volume = {86}, year = {2012}, note = {

n/a

}, month = {Nov}, pages = {052521}, abstract = {

n/a

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.86.052521}, author = {Marques, J. and F. Parente and Costa, A. and Martins, M and P. Indelicato and J P Santos} } @article {2901, title = {Relativistic total cross section and angular distribution for Rayleigh scattering by atomic hydrogen}, journal = {Phys. Rev. A}, volume = {85}, year = {2012}, note = {

PTDC/FIS/117606/2010

}, month = {May}, pages = {043406}, abstract = {

We study the total cross section and angular distribution in Rayleigh scattering by hydrogen atom in the ground state, within the framework of Dirac relativistic equation and second-order perturbation theory. The relativistic states used for the calculations are obtained by making use of the finite basis-set method and expressed in terms of B splines and B polynomials. We pay particular attention to the effects that arise from higher (nondipole) terms in the expansion of the electron-photon interaction. It is shown that the angular distribution of scattered photons, while symmetric with respect to the scattering angle θ=90o within the electric dipole approximation, becomes asymmetric when higher multipoles are taken into account. The analytical expression of the angular distribution is parametrized in terms of Legendre polynomials. Detailed calculations are performed for photons in the energy range 0.5 to 10 keV. When possible, results are compared with previous calculations.

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.85.043406}, author = {Safari, L and P Amaro and S. Fritzsche and J P Santos and F. Fratini} } @article {8133, title = {Modified binary encounter Bethe model for electron-impact ionization}, journal = {International Journal of Mass Spectrometry}, volume = {313}, year = {2012}, note = {

JPS-Ref52

}, month = {Mar 01}, pages = {1}, publisher = {Elsevier B.V.}, abstract = {

Theoretical expressions for ionization cross sections by electron impact based on the binary encounter Bethe (BEB) model, valid from ionization threshold up to relativistic energies, are proposed.The new modified BEB (MBEB) and its relativistic counterpart (MRBEB) expressions are simpler than the BEB (nonrelativistic and relativistic) expressions because they require only one atomic parameter, namely the binding energy of the electrons to be ionized, and use only one scaling term for the ionization of all sub-shells.The new models are used to calculate the K-, L- and M-shell ionization cross sections by electron impact for several atoms with Z from 6 to 83. Comparisons with all, to the best of our knowledge, available experimental data show that this model is as good or better than other models, with less complexity.

}, url = {http://www.sciencedirect.com/science/article/pii/S138738061100474X}, author = {M Guerra and F. Parente and P. Indelicato and J P Santos} } @article {2900, title = {Absolute Measurement of the Relativistic Magnetic Dipole Transition Energy in Heliumlike Argon}, journal = {Phys. Rev. Lett.}, volume = {109}, year = {2012}, note = {

PTDC/FIS/117606/2010

}, month = {Jul}, pages = {043005}, abstract = {

The 1s2s 3S1 ! 1s2 1S0 relativistic magnetic dipole transition in heliumlike argon, emitted by the plasma of an electron-cyclotron resonance ion source, has been measured using a double-flat crystal x-ray spectrometer. Such a spectrometer, used for the first time on a highly charged ion transition, provides absolute (reference-free) measurements in the x-ray domain. We find a transition energy of 3104.1605(77) eV (2.5 ppm accuracy). This value is the most accurate, reference-free measurement done for such a transition and is in good agreement with recent QED predictions.

}, url = {http://link.aps.org/doi/10.1103/PhysRevLett.109.043005}, author = {Amaro, Pedro and Schlesser, Sophie and Guerra, Mauro and Le Bigot, Eric-Olivier and Isac, Jean-Michel and Travers, Pascal and Santos, Jose Paulo and Szabo, Csilla and Gumberidze, Alexandre and Indelicato, Paul} } @article {8080, title = {Absolute Measurement of the Relativistic Magnetic Dipole Transition Energy in Heliumlike Argon}, journal = {Physical Review Letters}, volume = {109}, year = {2012}, note = {

PTDC/FIS/117606/2010

}, month = {Jul}, pages = {043005}, abstract = {

The 1s2s 3S1 - 1s2 1S0 relativistic magnetic dipole transition in heliumlike argon, emitted by the plasma of an electron-cyclotron resonance ion source, has been measured using a double-flat crystal x-ray spectrometer. Such a spectrometer, used for the first time on a highly charged ion transition, provides absolute (reference-free) measurements in the x-ray domain. We find a transition energy of 3104.1605(77) eV (2.5 ppm accuracy). This value is the most accurate, reference-free measurement done for such a transition and is in good agreement with recent QED predictions.

}, url = {http://link.aps.org/doi/10.1103/PhysRevLett.109.043005}, author = {Amaro, Pedro and Schlesser, Sophie and Guerra, Mauro and Le Bigot, Eric-Olivier and Isac, Jean-Michel and Travers, Pascal and Santos, Jose Paulo and Szabo, Csilla and Gumberidze, Alexandre and Indelicato, Paul} } @article {2899, title = {Modeling praseodymium K X-ray lines in an electron beam ion trap}, journal = {Eur. Phys. J. D }, volume = {66}, year = {2012}, note = {

PTDC/FIS/117606/2010

}, month = {Aug 16}, pages = {202}, abstract = {

We study the most important processes for the creation of excited states in He-like through C- like praseodymium ions from the ions ground configurations, leading to the emission of K X-ray lines. Theoretical values for inner-shell excitation and ionization cross sections, transition probabilities and energies for the deexcitation processes, are calculated in the framework of the multi-configuration Dirac- Fock method, including QED corrections. Using these calculated values, a theoretical Kα X-ray spectrum is obtained, which is compared to recent experimental data obtained in the Livermore Super-EBIT electron beam ion trap facility.

}, url = {http://www.springerlink.com/index/10.1140/epjd/e2012-30049-9}, author = {J P Santos and A. M. Costa and M. C. Martins and F. Parente and P. Indelicato} } @article {8097, title = {Modeling praseodymium K X-ray lines in an electron beam ion trap}, journal = {The European Physical Journal D}, volume = {66}, number = {8}, year = {2012}, note = {

PTDC/FIS/117606/2010 PTDC/FIS/117606/2010

}, month = {Aug 16}, pages = {202}, abstract = {

We study the most important processes for the creation of excited states in He-like through C- like praseodymium ions from the ions ground configurations, leading to the emission of K X-ray lines. Theoretical values for inner-shell excitation and ionization cross sections, transition probabilities and energies for the deexcitation processes, are calculated in the framework of the multi-configuration Dirac- Fock method, including QED corrections. Using these calculated values, a theoretical Kα X-ray spectrum is obtained, which is compared to recent experimental data obtained in the Livermore Super-EBIT electron beam ion trap facility.

}, url = {http://www.springerlink.com/index/10.1140/epjd/e2012-30049-9}, author = {J P Santos and A. M. Costa and M. C. Martins and F. Parente and P. Indelicato} } @article {2902, title = {Modified binary encounter Bethe model for electron-impact ionization}, journal = {Int. J. Mass Spectrom.}, volume = {313}, year = {2012}, note = {

JPS-Ref52

}, month = {Apr 01}, pages = {1}, publisher = {Elsevier B.V.}, abstract = {

Theoretical expressions for ionization cross sections by electron impact based on the binary encounter Bethe (BEB) model, valid from ionization threshold up to relativistic energies, are proposed.
The new modified BEB (MBEB) and its relativistic counterpart (MRBEB) expressions are simpler than the BEB (nonrelativistic and relativistic) expressions because they require only one atomic parameter, namely the binding energy of the electrons to be ionized, and use only one scaling term for the ionization of all sub-shells.
The new models are used to calculate the K-, L- and M-shell ionization cross sections by electron impact for several atoms with Z from 6 to 83. Comparisons with all, to the best of our knowledge, available experimental data show that this model is as good or better than other models, with less complexity.

}, url = {http://www.sciencedirect.com/science/article/pii/S138738061100474X}, author = {M Guerra and F. Parente and P. Indelicato and J P Santos} } @article {8142, title = {Relativistic total cross section and angular distribution for Rayleigh scattering by atomic hydrogen}, journal = {Physical Review A}, volume = {85}, year = {2012}, note = {

PTDC/FIS/117606/2010

}, month = {Apr}, pages = {043406}, abstract = {

We study the total cross section and angular distribution in Rayleigh scattering by hydrogen atom in the ground state, within the framework of Dirac relativistic equation and second-order perturbation theory. The relativistic states used for the calculations are obtained by making use of the finite basis-set method and expressed in terms of B splines and B polynomials. We pay particular attention to the effects that arise from higher (nondipole) terms in the expansion of the electron-photon interaction. It is shown that the angular distribution of scattered photons, while symmetric with respect to the scattering angle θ=90o within the electric dipole approximation, becomes asymmetric when higher multipoles are taken into account. The analytical expression of the angular distribution is parametrized in terms of Legendre polynomials. Detailed calculations are performed for photons in the energy range 0.5 to 10 keV. When possible, results are compared with previous calculations.

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.85.043406}, author = {Safari, L and P Amaro and S. Fritzsche and J P Santos and F. Fratini} } @article {Guimaraes:2012hc, title = {Lead concentration in feces and urine of exposed rats by x-ray fluorescence and electrothermal atomic absorption spectrometry}, journal = {X-Ray Spectrom.}, volume = {41}, year = {2012}, note = {

JPS-Ref53

}, pages = {80}, abstract = {

n/a

}, author = {D. Guimar{\~a}es and M. L. Carvalho and M. Becker and A. von Bohlen and V. Geraldes and I. Rocha and J P Santos} } @article {2905, title = {Nuclear spin{\textendash}spin constants, rotational g factor and susceptibility of sulphur hexafluoride}, journal = {Mol. Phys.}, volume = {110}, year = {2012}, note = {

doi: 10.1080/00268976.2012.668224

JPS-Ref57

}, pages = {2163}, abstract = {

Following our previous study on spin{\textendash}rotation and shielding constants of the SF6 molecule, the rotational g factor and the magnetic susceptibility are calculated here, using ab initio methods to evaluate the electronic contribution to the nuclear hyperfine constants, and compared with experimental results. It is shown, for the first time, that the electronic component of the rotational g factor is proportional to a constant, which is given by a sum over electronic states. We also evaluate for the SF6 molecule the indirect, or electron-coupled spin{\textendash}spin interaction, theoretically described by Ramsey, and show that it gives non-negligible corrections to direct coupling constants d1 and d2. The contributions of the terms included in this interaction (DSO, PSO, SD and FC) are also analysed.

}, url = {http://www.tandfonline.com/doi/abs/10.1080/00268976.2012.668224}, author = {M. L. Palma and J P Santos} } @article {2904, title = {Study of lead accumulation in bones of Wistar rats by X-ray fluorescence analysis: aging effect}, journal = {Metallomics}, volume = {4}, year = {2012}, note = {

JPS-Ref51

}, pages = {66}, publisher = {The Royal Society of Chemistry}, abstract = {

The accumulation of lead in several bones of Wistar rats with time was determined and compared Q3 for the different types of bones. Two groups were studied: a control group (n = 20), not exposed to lead and a contaminated group (n = 30), exposed to lead from birth, first indirectly through
mother{\textquoteright}s milk, and then directly through a diet containing lead acetate in drinking water (0.2\%). Rats age ranged from 1 to 11 months, with approximately 1 month intervals and each of the collections had 3 contaminated rats and 2 control rats. Iliac, femur, tibia{\textendash}fibula and skull have been analysed by energy dispersive X-ray fluorescence technique (EDXRF). Samples of formaldehyde used to preserve the bone tissues were also analysed by Electrothermal Atomic Absorption (ETAAS), showing that there was no significant loss of lead from the tissue to the preservative. The bones mean lead concentration of exposed rats range from 100 to 300 mg g 1 while control rats never exceeded 10 mg g 1. Mean bone lead concentrations were compared and
the concentrations were higher in iliac, femur and tibia{\textendash}fibula and after that skull. However, of all the concentrations in the different collections, only those in the skull were statistically Q4 significantly different (p o 0.05) from the other types of bones. Analysis of a radar chart also allowed us to say that these differences tend to diminish with age. The Spearman correlation test applied to mean lead concentrations showed strong and very strong positive correlations between
all different types of bones. This test also showed that mean lead concentrations in bones are negatively correlated with the age of the animals. This correlation is strong in iliac and femur and very strong in tibia{\textendash}fibula and skull. It was also shown that the decrease of lead accumulation with age is made by three plateaus of accumulation,

}, url = {http://dx.doi.org/10.1039/c1mt00149c}, author = {D. Guimar{\~a}es and M. L. Carvalho and V. Geraldes and I. Rocha and J P Santos} } @article {2903, title = {Tautomerism in 5-aminotetrazole investigated by core-level photoelectron spectroscopy and ΔSCF calculations}, journal = {J. Electron. Spectrosc. Related Phenomena}, volume = {185}, year = {2012}, note = {

JPS-Ref54

}, pages = {13-17}, abstract = {

The C 1s and N 1s photoelectron spectra of gas-phase 5-aminotetrazole (5ATZ) were recorded using synchrotron radiation, with the aim of evaluating 1H/2H tautomer population ratios. The core-electron binding energies (CEBEs) were estimated from computational results, using the delta self-consistent-field ({\OE}{\^\i}SCF) approach. Simulated spectra were generated using these CEBEs and the results from Gaussian-n (Gn, n=1, 2 and 3) and Complete Basis Set (CBS-4M and CBS-Q) methods. Results reveal the almost exclusive predominance of the 2H-tautomer, with a 1H/2H ratio of ca. 0.12/0.88, taken from a gross analysis of the XPS C 1s spectrum, recorded at 365 K.

}, url = {http://www.sciencedirect.com/science/article/pii/S0368204811001356}, author = {R. M. Pinto and A. A. Dias and M. Coreano and de Simone, M. and Giuliano, B. M. and J P Santos and M. L. Costa} } @article {8075, title = {Lead concentration in feces and urine of exposed rats by x-ray fluorescence and electrothermal atomic absorption spectrometry}, journal = {X-Ray Spectrometry}, volume = {41}, year = {2012}, note = {

JPS-Ref53

}, pages = {80}, publisher = {John Wiley \& Sons, Ltd}, abstract = {

Measurements made in feces and urine of Wistar rats exposed to lead acetate (n = 20) in drinking water since the fetal period were compared with those obtained from a control group (n = 20) in order to assess the age influence on Pb excretion. The measurements were made in different collections of rats aging between 1 and 11 months. To determine the Pb content of the samples, total reflection X-ray fluorescence (TXRF) and electrothermal atomic absorption spectrometry (ETAAS) were used for the urine samples and energy dispersive X-ray fluorescence (EDXRF) was used for the feces.The results show high concentrations of Pb being eliminated from the organism by urine and feces in contaminated rats. Values vary from (600{\textquoteleft}140)mgl1 to (5 460{\textquoteleft}115)mgl1 in urine and from (4 500{\textquoteleft}300)mgg1 to (11 400{\textquoteleft}3 300)mgg1 in dry feces. The control rats show, in general, low lead concentrations or below detection limits. The fecal/urinary ratio was studied. It was shown to be about three to four orders of magnitude and positively correlated with time. It was verified in feces and urine that excretion decreases with the animal age and that this decrease is made by different levels of excretion. The excretions of Pb in urine and in feces are positively correlated.A good agreement was found between the results obtained with TXRF and ETAAS for urine samples. This work also stresses the suitability of these techniques in the study of Pb intoxication.

}, url = {http://dx.doi.org/10.1002/xrs.2361}, author = {D. Guimar{\~a}es and M. L. Carvalho and M. Becker and A. von Bohlen and V. Geraldes and I. Rocha and J P Santos} } @article {8116, title = {Nuclear spin{\textendash}spin constants, rotational g factor and susceptibility of sulphur hexafluoride}, journal = {Molecular Physics}, volume = {110}, year = {2012}, note = {

doi: 10.1080/00268976.2012.668224JPS-Ref57

}, pages = {2163}, abstract = {

Following our previous study on spin{\textendash}rotation and shielding constants of the SF6 molecule, the rotational g factor and the magnetic susceptibility are calculated here, using ab initio methods to evaluate the electronic contribution to the nuclear hyperfine constants, and compared with experimental results. It is shown, for the first time, that the electronic component of the rotational g factor is proportional to a constant, which is given by a sum over electronic states. We also evaluate for the SF6 molecule the indirect, or electron-coupled spin{\textendash}spin interaction, theoretically described by Ramsey, and show that it gives non-negligible corrections to direct coupling constants d1 and d2. The contributions of the terms included in this interaction (DSO, PSO, SD and FC) are also analysed.

}, url = {http://www.tandfonline.com/doi/abs/10.1080/00268976.2012.668224}, author = {M. L. Palma and J P Santos} } @article {8151, title = {Study of lead accumulation in bones of Wistar rats by X-ray fluorescence analysis: aging effect}, journal = {Metallomics}, volume = {4}, number = {1}, year = {2012}, note = {

JPS-Ref51

}, pages = {66}, publisher = {The Royal Society of Chemistry}, abstract = {

The accumulation of lead in several bones of Wistar rats with time was determined and compared Q3 for the different types of bones. Two groups were studied: a control group (n = 20), not exposed to lead and a contaminated group (n = 30), exposed to lead from birth, first indirectly throughmother{\textquoteright}s milk, and then directly through a diet containing lead acetate in drinking water (0.2\%). Rats age ranged from 1 to 11 months, with approximately 1 month intervals and each of the collections had 3 contaminated rats and 2 control rats. Iliac, femur, tibia{\textendash}fibula and skull have been analysed by energy dispersive X-ray fluorescence technique (EDXRF). Samples of formaldehyde used to preserve the bone tissues were also analysed by Electrothermal Atomic Absorption (ETAAS), showing that there was no significant loss of lead from the tissue to the preservative. The bones mean lead concentration of exposed rats range from 100 to 300 mg g 1 while control rats never exceeded 10 mg g 1. Mean bone lead concentrations were compared andthe concentrations were higher in iliac, femur and tibia{\textendash}fibula and after that skull. However, of all the concentrations in the different collections, only those in the skull were statistically Q4 significantly different (p o 0.05) from the other types of bones. Analysis of a radar chart also allowed us to say that these differences tend to diminish with age. The Spearman correlation test applied to mean lead concentrations showed strong and very strong positive correlations betweenall different types of bones. This test also showed that mean lead concentrations in bones are negatively correlated with the age of the animals. This correlation is strong in iliac and femur and very strong in tibia{\textendash}fibula and skull. It was also shown that the decrease of lead accumulation with age is made by three plateaus of accumulation,

}, url = {http://dx.doi.org/10.1039/c1mt00149c}, author = {D. Guimar{\~a}es and M. L. Carvalho and V. Geraldes and I. Rocha and J P Santos} } @article {8146, title = {Tautomerism in 5-aminotetrazole investigated by core-level photoelectron spectroscopy and ΔSCF calculations}, journal = {Journal of Electron Spectroscopy and Related Phenomena}, volume = {185}, year = {2012}, note = {

JPS-Ref54

}, pages = {13-17}, abstract = {

The C 1s and N 1s photoelectron spectra of gas-phase 5-aminotetrazole (5ATZ) were recorded using synchrotron radiation, with the aim of evaluating 1H/2H tautomer population ratios. The core-electron binding energies (CEBEs) were estimated from computational results, using the delta self-consistent-field ({\OE}{\^\i}SCF) approach. Simulated spectra were generated using these CEBEs and the results from Gaussian-n (Gn, n=1, 2 and 3) and Complete Basis Set (CBS-4M and CBS-Q) methods. Results reveal the almost exclusive predominance of the 2H-tautomer, with a 1H/2H ratio of ca. 0.12/0.88, taken from a gross analysis of the XPS C 1s spectrum, recorded at 365 K.

}, url = {http://www.sciencedirect.com/science/article/pii/S0368204811001356}, author = {R. M. Pinto and A. A. Dias and Coreno, M. and de Simone, M. and Giuliano, B. M. and J P Santos and M. L. Costa} } @article {8112, title = {Tautomerism in 5-methyltetrazole investigated by core-level photoelectron spectroscopy and ΔSCF calculations}, journal = {Chemical Physics Letters}, volume = {516}, number = {4-6}, year = {2011}, note = {

JPS-Ref47

}, month = {Nov 18}, pages = {149-153}, publisher = {Elsevier B.V.}, abstract = {

Chemical Physics Letters, 516 (2011) 149-153. doi:10.1016/j.cplett.2011.10.001

}, url = {http://dx.doi.org/10.1016/j.cplett.2011.10.001}, author = {R. M. Pinto and A. A. Dias and Coreno, M. and de Simone, M. and Giuliano, B. M. and J P Santos and M. L. Costa} } @article {193, title = {Calculation of two-photon decay rates of hydrogen-like ions by using B-polynomials}, journal = {Journal of Physics A: Mathematical and Theoretical}, volume = {44}, number = {24}, year = {2011}, pages = {245302}, abstract = {A new approach is laid out to investigate two-photon atomic transitions. It is based on the application of the finite-basis solutions constructed from the Bernstein polynomial (B-polynomial) sets. We show that such an approach provides a very promising route for the relativistic second-order (and even higher-order) calculations since it allows for analytical evaluation of the involved matrices elements. In order to illustrate possible applications of the method and to verify its accuracy, detailed calculations are performed for the 2 s 1/2 {\quotesinglbase}{\"U}{\'\i} 1 s 1/2 transition in neutral hydrogen and hydrogen-like ions, which are compared with the theoretical predictions based on the well-established B-spline basis-set approach.}, doi = {DOI: 10.1088/1751-8113/44/24/245302}, url = {http://stacks.iop.org/1751-8121/44/i=24/a=245302}, author = {P Amaro and A. Surzhykov and F. Parente and P. Indelicato and J P Santos} } @article {8139, title = {Calculation of two-photon decay rates of hydrogen-like ions by using B-polynomials}, journal = {Journal of Physics A: Mathematical and Theoretical}, volume = {44}, number = {24}, year = {2011}, note = {

Webpage CFA-FCTUNLJPS-Ref50

}, pages = {245302}, abstract = {

A new approach is laid out to investigate two-photon atomic transitions. It is based on the application of the finite-basis solutions constructed from the Bernstein polynomial (B-polynomial) sets. We show that such an approach provides a very promising route for the relativistic second-order (and even higher-order) calculations since it allows for analytical evaluation of the involved matrices elements. In order to illustrate possible applications of the method and to verify its accuracy, detailed calculations are performed for the 2 s 1/2 {\quotesinglbase}{\"U}{\'\i} 1 s 1/2 transition in neutral hydrogen and hydrogen-like ions, which are compared with the theoretical predictions based on the well-established B-spline basis-set approach.

}, url = {http://stacks.iop.org/1751-8121/44/i=24/a=245302}, author = {P Amaro and A. Surzhykov and F. Parente and P. Indelicato and J P Santos} } @article {3767, title = {K X-Ray Energies and Transition Probabilities for He-, Li- and Be-like Praseodymium ions}, journal = {Journal of Physics: Conference Series}, volume = {Accepted}, year = {2011}, author = {J P Santos and A. M. Costa and M. C. Martins and P. Indelicato and F. Parente} } @article {701, title = {Lead concentration in feces and urine of exposed rats by X-ray Fluorescence and Electrothermal Atomic Absorption Spectrometry}, journal = {X-Ray Spectrometry}, volume = {In press}, year = {2011}, note = {n/a}, abstract = {n/a}, author = {D. Guimar{\~a}es and M. L. Carvalho and M. Becker and A. von Bohlen and V. Geraldes and I. Rocha and J P Santos} } @article {791, title = {Modified binary encounter Bethe model for electron-impact ionization}, journal = {International Journal of Mass Spectrometry}, volume = {Accepted}, year = {2011}, note = {n/a}, abstract = {

Theoretical expressions for ionization cross sections by electron impact based on the binary encounter Bethe (BEB) model, valid from ionization threshold up to relativistic energies, are proposed.The new modified BEB (MBEB) and its relativistic counterpart (MRBEB) expressions are simpler than the BEB (nonrelativistic and relativistic) expressions because they require only one atomic parameter, namely the binding energy of the electrons to be ionized, and use only one scaling term for the ionization of all sub-shells.The new models are used to calculate the K-, L- and M-shell ionization cross sections by electron impact for several atoms with Z from 6 to 83.Comparisons with all, to the best of our knowledge, available experimental data show that this model is as good or better than other models, with less complexity.

}, keywords = {Electron Impact, Cross sections, K-shell, L-shell, M-shell}, author = {M Guerra and F. Parente and P. Indelicato and J P Santos} } @article {3766, title = {New expression for the K-shell ionization}, journal = {Journal of Physics: Conference Series}, volume = {Accepted}, year = {2011}, author = {J P Santos and M Guerra and F. Parente} } @article {708, title = {Production and decay of chlorine ion excited species in an electron cyclotron resonance ion source plasma}, journal = {Physica Scripta}, volume = {T144}, year = {2011}, note = {

Webpage CFA-FCTUNL

}, pages = {014005}, abstract = {

The most important processes for the creation of chlorine ion excited states from the ground configurations of Cl 10+ to Cl 15+ ions in an electron cyclotron resonance ion source, leading to the emission of K x-ray lines, were studied. Theoretical values for inner-shell excitation and ionization cross-sections, including double KL and triple KLL ionization, transition probabilities and energies for the de-excitation processes, were calculated in the framework of the multi-configuration Dirac{\quotesinglbase}{\"A}{\`\i}Fock method. With reasonable assumptions about the electron energy distribution, a theoretical K{\OE}{\textpm} x-ray spectrum was obtained, which was then compared with recent experimental data.

}, isbn = {1402-4896}, url = {http://stacks.iop.org/1402-4896/2011/i=T144/a=014005}, author = {J P Santos and M. C. Martins and A. M. Costa and J. P. Marques and P. Indelicato and F. Parente} } @article {8073, title = {Production and decay of chlorine ion excited species in an electron cyclotron resonance ion source plasma}, journal = {Physica Scripta}, volume = {T144}, year = {2011}, note = {

Webpage CFA-FCTUNLJPS-Ref49

}, pages = {014005}, abstract = {

The most important processes for the creation of chlorine ion excited states from the ground configurations of Cl 10+ to Cl 15+ ions in an electron cyclotron resonance ion source, leading to the emission of K x-ray lines, were studied. Theoretical values for inner-shell excitation and ionization cross-sections, including double KL and triple KLL ionization, transition probabilities and energies for the de-excitation processes, were calculated in the framework of the multi-configuration Dirac{\quotesinglbase}{\"A}{\`\i}Fock method. With reasonable assumptions about the electron energy distribution, a theoretical K{\OE}{\textpm} x-ray spectrum was obtained, which was then compared with recent experimental data.

}, url = {http://stacks.iop.org/1402-4896/2011/i=T144/a=014005}, author = {J P Santos and M. C. Martins and A. M. Costa and J. P. Marques and P. Indelicato and F. Parente} } @article {705, title = {Relativistic transition wavelenghts and probabilities for spectral lines of Ne II}, journal = {The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics}, volume = {63}, number = {1}, year = {2011}, note = {

Webpage CFA-FCTUNL

}, pages = {89-96}, publisher = {Springer Berlin / Heidelberg}, abstract = {

Transition wavelengths and probabilities for several 2 p 4 3 p -2 p 4 3 s and 2 p 4 3 d -2 p 4 3 p lines in fluorine-like neon ion (NeII) have been calculated within the multiconfiguration Dirac-Fock (MCDF) method with quantum electrodynamics (QED) corrections. The results are compared with all existing experimental and theoretical data.

}, keywords = {Physics and Astronomy}, isbn = {1434-6060}, url = {http://dx.doi.org/10.1140/epjd/e2011-10715-2}, author = {Santos, J. and Costa, A. and Madruga, C. and F. Parente and P. Indelicato} } @article {8071, title = {Relativistic transition wavelenghts and probabilities for spectral lines of Ne II}, journal = {The European Physical Journal D}, volume = {63}, number = {1}, year = {2011}, note = {

Webpage CFA-FCTUNLJPS-Ref48The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics

}, pages = {89-96}, publisher = {Springer Berlin / Heidelberg}, abstract = {

Transition wavelengths and probabilities for several 2 p 4 3 p -2 p 4 3 s and 2 p 4 3 d -2 p 4 3 p lines in fluorine-like neon ion (NeII) have been calculated within the multiconfiguration Dirac-Fock (MCDF) method with quantum electrodynamics (QED) corrections. The results are compared with all existing experimental and theoretical data.

}, url = {http://dx.doi.org/10.1140/epjd/e2011-10715-2}, author = {J P Santos and Costa, A. and Madruga, C. and F. Parente and P. Indelicato} } @article {703, title = {Study of lead accumulation in bones of Wistar rats by X-ray fluorescence analysis: aging effect}, journal = {Metallomics}, volume = {In Press}, year = {2011}, note = {n/a}, pages = {DOI: 10.1039/c1mt00149c}, publisher = {The Royal Society of Chemistry}, abstract = {

The accumulation of lead in several bones of Wistar rats with time was determined and comparedQ3 for the different types of bones. Two groups were studied: a control group (n = 20), not exposedto lead and a contaminated group (n = 30), exposed to lead from birth, first indirectly throughmother{\textquoteright}s milk, and then directly through a diet containing lead acetate in drinking water (0.2\%).Rats age ranged from 1 to 11 months, with approximately 1 month intervals and each of thecollections had 3 contaminated rats and 2 control rats. Iliac, femur, tibia{\textendash}fibula and skull havebeen analysed by energy dispersive X-ray fluorescence technique (EDXRF). Samples offormaldehyde used to preserve the bone tissues were also analysed by Electrothermal AtomicAbsorption (ETAAS), showing that there was no significant loss of lead from the tissue to thepreservative. The bones mean lead concentration of exposed rats range from 100 to 300 mg g 1while control rats never exceeded 10 mg g 1. Mean bone lead concentrations were compared andthe concentrations were higher in iliac, femur and tibia{\textendash}fibula and after that skull. However, ofall the concentrations in the different collections, only those in the skull were statisticallyQ4 significantly different (p o 0.05) from the other types of bones. Analysis of a radar chart alsoallowed us to say that these differences tend to diminish with age. The Spearman correlation testapplied to mean lead concentrations showed strong and very strong positive correlations betweenall different types of bones. This test also showed that mean lead concentrations in bones arenegatively correlated with the age of the animals. This correlation is strong in iliac and femur andvery strong in tibia{\textendash}fibula and skull. It was also shown that the decrease of lead accumulationwith age is made by three plateaus of accumulation,

}, isbn = {1756-5901}, url = {http://dx.doi.org/10.1039/c1mt00149c}, author = {D. Guimar{\~a}es and M. L. Carvalho and V. Geraldes and I. Rocha and J P Santos} } @article {702, title = {Tautomerism in 5-methyltetrazole investigated by core-level photoelectron spectroscopy and {\OE}{\^\i}SCF calculations}, journal = {Chemical Physics Letters}, volume = {516}, year = {2011}, note = {

Webpage CFA-FCTUNL

}, pages = {149{\textendash}153}, abstract = {

The relative populations of the 1H- and 2H-tautomer of gas-phase 5-methyltetrazole (5MTZ) have been assessed through core-level photoelectron spectroscopy, and compared with the results obtained from Gaussian-n (Gn, n\&$\#$xa0;=\&$\#$xa0;1, 2 and 3) and Complete Basis Set methods (CBS-4M and CBS-Q). The C 1s and N 1s core{\quotesinglbase}{\"A}{\`\i}electron binding energies (CEBEs) for each ionization site of both tautomers have been computed using the {\OE}{\^\i}self-consistent-field ({\OE}{\^\i}SCF) approach. The C 1s and N 1s XPS spectra, obtained at 313\&$\#$xa0;K, yield a 1H/2H tautomer ratio of ca. 0.16/0.84 and 0.21/0.79, respectively.

}, isbn = {0009-2614}, url = {http://www.sciencedirect.com/science/article/pii/S0009261411012371}, author = {R. M. Pinto and A. A. Dias and Coreno, M. and de Simone, M. and Giuliano, B. M. and J P Santos and M. L. Costa} } @article {8077, title = {Tautomerism in 5-methyltetrazole investigated by core-level photoelectron spectroscopy and ΔSCF calculations}, journal = {Chemical Physics Letters}, volume = {516}, year = {2011}, note = {

Webpage CFA-FCTUNL

}, pages = {149{\textendash}153}, abstract = {

The relative populations of the 1H- and 2H-tautomer of gas-phase 5-methyltetrazole (5MTZ) have been assessed through core-level photoelectron spectroscopy, and compared with the results obtained from Gaussian-n (Gn, n\&$\#$xa0;=\&$\#$xa0;1, 2 and 3) and Complete Basis Set methods (CBS-4M and CBS-Q). The C 1s and N 1s core{\quotesinglbase}{\"A}{\`\i}electron binding energies (CEBEs) for each ionization site of both tautomers have been computed using the {\OE}{\^\i}self-consistent-field ({\OE}{\^\i}SCF) approach. The C 1s and N 1s XPS spectra, obtained at 313\&$\#$xa0;K, yield a 1H/2H tautomer ratio of ca. 0.16/0.84 and 0.21/0.79, respectively.

}, url = {http://www.sciencedirect.com/science/article/pii/S0009261411012371}, author = {R. M. Pinto and A. A. Dias and Coreno, M. and de Simone, M. and Giuliano, B. M. and J P Santos and M. L. Costa} } @article {707, title = {Two-photon absorption of few-electron heavy ions}, journal = {Physical Review A}, volume = {84}, year = {2011}, note = {

Copyright (C) 2010 The American Physical SocietyPlease report any problems to prola@aps.orgPRAWebpage CFA-FCTUNL

}, pages = {022511}, publisher = {American Physical Society}, abstract = {

The two-photon absorption of few-electron ions has been studied by using second-order perturbation theory and Dirac{\textquoteright}s relativistic equation. Within this framework, the general expressions for the excitation cross sections and rates are derived including a full account of the higher-order multipole terms in the expansion of the electron-photon interaction. While these expressions can be applied to any ion, independent of its particular shell structure, detailed computations are carried out for the two-photon absorption of hydrogen-, helium-, and berylliumlike ions and are compared with the available theoretical and experimental data. The importance of relativistic and nondipole effects in the analysis and computation of induced two-photon transitions is pointed out. Moreover, we discuss the potential of these transitions for atomic parity-violation studies in the high-Z domain.

}, keywords = {PACS: 32.90.+a, 32.80.Rm, 32.80.Wr, 31.10.+z}, url = {http://link.aps.org/doi/10.1103/PhysRevA.84.022511}, author = {A. Surzhykov and P. Indelicato and J P Santos and P Amaro and Th St{\"o}hlker and S. Fritzsche} } @article {8122, title = {Two-photon absorption of few-electron heavy ions}, journal = {Physical Review A}, volume = {84}, year = {2011}, note = {

Copyright (C) 2010 The American Physical SocietyPlease report any problems to prola@aps.orgPRAWebpage CFA-FCTUNLJPS-Ref46

}, pages = {022511}, publisher = {American Physical Society}, abstract = {

The two-photon absorption of few-electron ions has been studied by using second-order perturbation theory and Dirac\'s relativistic equation. Within this framework, the general expressions for the excitation cross sections and rates are derived including a full account of the higher-order multipole terms in the expansion of the electron-photon interaction. While these expressions can be applied to any ion, independent of its particular shell structure, detailed computations are carried out for the two-photon absorption of hydrogen-, helium-, and berylliumlike ions and are compared with the available theoretical and experimental data. The importance of relativistic and nondipole effects in the analysis and computation of induced two-photon transitions is pointed out. Moreover, we discuss the potential of these transitions for atomic parity-violation studies in the high-Z domain.

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.84.022511}, author = {A. Surzhykov and P. Indelicato and J P Santos and P Amaro and Th St{\"o}hlker and S. Fritzsche} } @article {704, title = {Ultrasonic energy as a tool to overcome some drawbacks in the determination of lead in brain tissue and urine of rats}, journal = {Talanta}, volume = {86}, year = {2011}, note = {

Webpage CFA-FCTUNL

}, pages = {442-446 }, abstract = {

An ultrasonic assisted solid{\quotesinglbase}{\"A}{\`\i}liquid extraction method was developed to determine the level of lead in the brain and urine of rats. Lead was determined by electrothermal atomic absorption spectrometry with longitudinal-Zeeman background correction. Several analytical drawbacks were addressed and overcome, namely small brain sample mass and the formation of precipitate in the urine samples. Utrasonication provided by an ultrasonic probe succeeded in extracting lead from brain samples. Furthermore, it was demonstrated that the formation of a precipitate lowered the lead content in the liquid phase of the urine. Lead was back extracted from the precipitate to the liquid phase with the aid of ultrasonic energy and acidifying the urine with 10\% v/v nitric acid. A microwave-assisted acid digestion protocol was used to check the completeness of the lead extraction. The within bath and between bath precision was 5\% (n\&$\#$xa0;=\&$\#$xa0;9) and 7\% (n\&$\#$xa0;=\&$\#$xa0;3) respectively. The limit of quantification was 1.05\&$\#$xa0;{\OE}{\textordmasculine}g\&$\#$xa0;g{\quotesinglbase}{\`a}{\'\i}1 for brain samples and 2.1\&$\#$xa0;{\OE}{\textordmasculine}g\&$\#$xa0;L{\quotesinglbase}{\`a}{\'\i}1 for urine samples. A total of 6 samples of urine and 12 samples of brain from control rats and another 6 samples of urine and 12 samples of brain from rats fed with tap water rich in lead acetate were used in this research. Lead levels in brain and urine from exposed rats ranged from1.9\&$\#$xa0;{\textlnot}{\textpm}\&$\#$xa0;0.2\&$\#$xa0;{\OE}{\textordmasculine}g\&$\#$xa0;g{\quotesinglbase}{\`a}{\'\i}1 to 3.5\&$\#$xa0;{\textlnot}{\textpm}\&$\#$xa0;0.2\&$\#$xa0;{\OE}{\textordmasculine}g\&$\#$xa0;g{\quotesinglbase}{\`a}{\'\i}1 and from 752\&$\#$xa0;{\textlnot}{\textpm}\&$\#$xa0;56\&$\#$xa0;{\OE}{\textordmasculine}g\&$\#$xa0;L{\quotesinglbase}{\`a}{\'\i}1 to 60.9\&$\#$xa0;{\textlnot}{\textpm}\&$\#$xa0;1.2\&$\#$xa0;mg\&$\#$xa0;L{\quotesinglbase}{\`a}{\'\i}1 respectively. Statistically significant differences of levels of lead in brain and urine were found between exposed and non exposed rats.

}, keywords = {Brain, Electrothermal atomization, Lead, Pb, Rats, Ultrasonic, Urine}, isbn = {0039-9140}, url = {http://www.sciencedirect.com/science/article/pii/S0039914011007855}, author = {D. Guimar{\~a}es and J P Santos and M. L. Carvalho and Vale, G. and Santos, H. M. and V. Geraldes and I. Rocha and Capelo, J. L.} } @article {8100, title = {Ultrasonic energy as a tool to overcome some drawbacks in the determination of lead in brain tissue and urine of rats}, journal = {Talanta}, volume = {86}, year = {2011}, note = {

Webpage CFA-FCTUNLJPS-Ref45

}, pages = {442-446}, abstract = {

An ultrasonic assisted solid{\quotesinglbase}{\"A}{\`\i}liquid extraction method was developed to determine the level of lead in the brain and urine of rats. Lead was determined by electrothermal atomic absorption spectrometry with longitudinal-Zeeman background correction. Several analytical drawbacks were addressed and overcome, namely small brain sample mass and the formation of precipitate in the urine samples. Utrasonication provided by an ultrasonic probe succeeded in extracting lead from brain samples. Furthermore, it was demonstrated that the formation of a precipitate lowered the lead content in the liquid phase of the urine. Lead was back extracted from the precipitate to the liquid phase with the aid of ultrasonic energy and acidifying the urine with 10\% v/v nitric acid. A microwave-assisted acid digestion protocol was used to check the completeness of the lead extraction. The within bath and between bath precision was 5\% (n\&$\#$xa0;=\&$\#$xa0;9) and 7\% (n\&$\#$xa0;=\&$\#$xa0;3) respectively. The limit of quantification was 1.05\&$\#$xa0;{\OE}{\textordmasculine}g\&$\#$xa0;g{\quotesinglbase}{\`a}{\'\i}1 for brain samples and 2.1\&$\#$xa0;{\OE}{\textordmasculine}g\&$\#$xa0;L{\quotesinglbase}{\`a}{\'\i}1 for urine samples. A total of 6 samples of urine and 12 samples of brain from control rats and another 6 samples of urine and 12 samples of brain from rats fed with tap water rich in lead acetate were used in this research. Lead levels in brain and urine from exposed rats ranged from1.9\&$\#$xa0;{\textlnot}{\textpm}\&$\#$xa0;0.2\&$\#$xa0;{\OE}{\textordmasculine}g\&$\#$xa0;g{\quotesinglbase}{\`a}{\'\i}1 to 3.5\&$\#$xa0;{\textlnot}{\textpm}\&$\#$xa0;0.2\&$\#$xa0;{\OE}{\textordmasculine}g\&$\#$xa0;g{\quotesinglbase}{\`a}{\'\i}1 and from 752\&$\#$xa0;{\textlnot}{\textpm}\&$\#$xa0;56\&$\#$xa0;{\OE}{\textordmasculine}g\&$\#$xa0;L{\quotesinglbase}{\`a}{\'\i}1 to 60.9\&$\#$xa0;{\textlnot}{\textpm}\&$\#$xa0;1.2\&$\#$xa0;mg\&$\#$xa0;L{\quotesinglbase}{\`a}{\'\i}1 respectively. Statistically significant differences of levels of lead in brain and urine were found between exposed and non exposed rats.

}, url = {http://www.sciencedirect.com/science/article/pii/S0039914011007855}, author = {D. Guimar{\~a}es and J P Santos and M. L. Carvalho and Vale, G. and Santos, H. M. and V. Geraldes and I. Rocha and Capelo, J. L.} } @article {198, title = {Angular correlations in the two-photon decay of heliumlike heavy ions}, journal = {Physical Review A}, volume = {81}, number = {4}, year = {2010}, note = {Copyright (C) 2010 The American Physical Society Please report any problems to prola@aps.org PRA}, pages = {042510}, abstract = {The two-photon decay of heavy, helium-like ions is investigated based on second-order perturbation theory and Dirac{\textquoteright}s relativistic equation. Special attention has been paid to the angular emission of the two photons (i.e., how the angular correlation function depends on the shell structure of the ions in their initial and final states). Moreover, the effects from the (electric and magnetic) nondipole terms in the expansion of the electron-photon interaction are discussed. Detailed calculations have been carried out for the two-photon decay of the 1s2s1S0, 1s2s3S1, and 1s2p3P0 states of helium-like Xe52+, Au77+, and U90+ ions.}, keywords = {31.30.jc, 32.80.Wr, PACS: 31.10.+z}, doi = {DOI: 10.1103/PhysRevA.81.042510}, url = {http://link.aps.org/doi/10.1103/PhysRevA.81.042510}, author = {A. Surzhykov and A. Volotka and F. Fratini and J P Santos and P. Indelicato and G. Plunien and Th St{\"o}hlker and S. Fritzsche} } @article {8070, title = {Angular correlations in the two-photon decay of heliumlike heavy ions}, journal = {Physical Review A}, volume = {81}, number = {4}, year = {2010}, note = {

Copyright (C) 2010 The American Physical SocietyPlease report any problems to prola@aps.orgPRAWebpage CFA-FCTUNLJPS-Ref44

}, pages = {042510}, publisher = {American Physical Society}, abstract = {

The two-photon decay of heavy, helium-like ions is investigated based on second-order perturbation theory and Dirac{\textquoteright}s relativistic equation. Special attention has been paid to the angular emission of the two photons (i.e., how the angular correlation function depends on the shell structure of the ions in their initial and final states). Moreover, the effects from the (electric and magnetic) nondipole terms in the expansion of the electron-photon interaction are discussed. Detailed calculations have been carried out for the two-photon decay of the 1s2s1S0, 1s2s3S1, and 1s2p3P0 states of helium-like Xe52+, Au77+, and U90+ ions.

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.81.042510}, author = {A. Surzhykov and A. Volotka and F. Fratini and J P Santos and P. Indelicato and G. Plunien and Th St{\"o}hlker and S. Fritzsche} } @article {195, title = {Computational study on the ionization energies of benzyl azide and its methyl derivatives}, journal = {Journal of Molecular Structure: THEOCHEM}, volume = {948}, number = {1-3}, year = {2010}, pages = {15-20}, abstract = {Ionization energies of benzyl azide (BA), C6H5CH2N3, its methyl derivatives, 2-, 3- and 4-methyl benzyl azide and (1-azidoethyl)benzene (2-, 3- and 4-MBA and 1-AEB), (CH3)C6H4CH2 N3, have been calculated with several basis sets, with M{\textasciimacron}ller-Plesset and Hartree-Fock methods. The data are compared to the ionizations energies obtained from HeI photoelectron spectroscopy (UVPES) experiments, in order to support the correct assignment of the bands. The nature and character of the molecular orbitals are also discussed.}, keywords = {Ab initio Ionization energy Benzyl azide Photoelectron spectroscopy}, url = {http://www.sciencedirect.com/science/article/B6TGT-4YDT3SS-1/2/5a8220b271efdcb2d81ee68dfcd0d0a7}, author = {R. M. Pinto and A. A. Dias and M. L. Costa and J P Santos} } @article {8155, title = {Computational study on the ionization energies of benzyl azide and its methyl derivatives}, journal = {Journal of Molecular Structure: THEOCHEM}, volume = {948}, number = {1-3}, year = {2010}, note = {

Webpage CFA-FCTUNLJPS-Ref43

}, pages = {15-20}, type = {doi: DOI: 10.1016/j.theochem.2010.02.011}, abstract = {

Ionization energies of benzyl azide (BA), C6H5CH2N3, its methyl derivatives, 2-, 3- and 4-methyl benzyl azide and (1-azidoethyl)benzene (2-, 3- and 4-MBA and 1-AEB), (CH3)C6H4CH2 N3, have been calculated with several basis sets, with M{\textasciimacron}ller-Plesset and Hartree-Fock methods. The data are compared to the ionizations energies obtained from HeI photoelectron spectroscopy (UVPES) experiments, in order to support the correct assignment of the bands. The nature and character of the molecular orbitals are also discussed.

}, url = {http://www.sciencedirect.com/science/article/B6TGT-4YDT3SS-1/2/5a8220b271efdcb2d81ee68dfcd0d0a7}, author = {R. M. Pinto and A. A. Dias and M. L. Costa and J P Santos} } @article {197, title = {Study of selected benzyl azides by UV photoelectron spectroscopy and mass spectrometry}, journal = {Journal of Molecular Structure}, volume = {980}, number = {1-3}, year = {2010}, pages = {163-171}, abstract = {Benzyl azide and the three methylbenzyl azides were synthesized and characterized by mass spectrometry (MS) and ultraviolet photoelectron spectroscopy (UVPES). The electron ionization fragmentation mechanisms for benzyl azide and their methyl derivatives were studied by accurate mass measurements and linked scans at constant B/E. For benzyl azide, in order to clarify the fragmentation mechanism, labelling experiments were performed. From the mass analysis of methylbenzyl azides isomers it was possible to differentiate the isomers ortho, meta and para. The abundance and nature of the ions resulting from the molecular ion fragmentation, for the three distinct isomers of substituted benzyl azides, were rationalized in terms of the electronic properties of the substituent. Concerning the para-isomer, IRC calculations were performed at UHF/6-31G(d) level. The photoionization study of benzyl azide, with He(I) radiation, revealed five bands in the 8-21~eV ionization energies region. From every photoelectron spectrum of methylbenzyl azides isomers it has been identified seven bands, on the same range as the benzyl azide. Interpretation of the photoelectron spectra was accomplished applying Koopmans{\textquoteright} theorem to the SCF orbital energies obtained at HF/6-311++G(d,~p) level.}, keywords = {Benzyl azides UVPES EIMS IRC calculations}, doi = {DOI: 10.1016/j.molstruc.2010.07.009}, url = {http://www.sciencedirect.com/science/article/B6TGS-50HYGG6-1/2/4382c3d63371e36f8393d336f3551506}, author = {R. M. Pinto and R. I. Olariu and J. Lameiras and F. T. Martins and A. A. Dias and G. J. Langley and P. Rodrigues and C. D. Maycock and J P Santos and M. F. Duarte and M. T. Fernandez and M. L. Costa} } @article {8049, title = {Study of selected benzyl azides by UV photoelectron spectroscopy and mass spectrometry}, journal = {Journal of Molecular Structure}, volume = {980}, number = {1-3}, year = {2010}, note = {

Webpage CFA-FCTUNLJPS-Ref42

}, pages = {163-171}, abstract = {

Benzyl azide and the three methylbenzyl azides were synthesized and characterized by mass spectrometry (MS) and ultraviolet photoelectron spectroscopy (UVPES). The electron ionization fragmentation mechanisms for benzyl azide and their methyl derivatives were studied by accurate mass measurements and linked scans at constant B/E. For benzyl azide, in order to clarify the fragmentation mechanism, labelling experiments were performed. From the mass analysis of methylbenzyl azides isomers it was possible to differentiate the isomers ortho, meta and para. The abundance and nature of the ions resulting from the molecular ion fragmentation, for the three distinct isomers of substituted benzyl azides, were rationalized in terms of the electronic properties of the substituent. Concerning the para-isomer, IRC calculations were performed at UHF/6-31G(d) level. The photoionization study of benzyl azide, with He(I) radiation, revealed five bands in the 8-21~eV ionization energies region. From every photoelectron spectrum of methylbenzyl azides isomers it has been identified seven bands, on the same range as the benzyl azide. Interpretation of the photoelectron spectra was accomplished applying Koopmans\' theorem to the SCF orbital energies obtained at HF/6-311++G(d,~p) level.

}, url = {http://www.sciencedirect.com/science/article/B6TGS-50HYGG6-1/2/4382c3d63371e36f8393d336f3551506}, author = {R. M. Pinto and R. I. Olariu and J. Lameiras and F. T. Martins and A. A. Dias and G. J. Langley and P. Rodrigues and C. D. Maycock and J P Santos and M. F. Duarte and M. T. Fernandez and M. L. Costa} } @article {196, title = {X-ray-spectroscopy analysis of electron-cyclotron-resonance ion-source plasmas}, journal = {Physical Review A}, volume = {82}, number = {6}, year = {2010}, note = {Copyright (C) 2010 The American Physical Society Please report any problems to prola@aps.org PRA}, pages = {062516}, abstract = {Analysis of x-ray spectra emitted by highly charged ions in an electron-cyclotron-resonance ion source (ECRIS) may be used as a tool to estimate the charge-state distribution (CSD) in the source plasma. For that purpose, knowledge of the electron energy distribution in the plasma, as well as the most important processes leading to the creation and de-excitation of ionic excited states are needed. In this work we present a method to estimate the ion CSD in an ECRIS through the analysis of the x-ray spectra emitted by the plasma. The method is applied to the analysis of a sulfur ECRIS plasma.}, keywords = {32.70.Fw, PACS: 32.70.-n}, doi = {DOI: 10.1103/PhysRevA.82.062516}, url = {http://link.aps.org/doi/10.1103/PhysRevA.82.062516}, author = {J P Santos and A. M. Costa and J. P. Marques and M. C. Martins and P. Indelicato and F. Parente} } @article {8101, title = {X-ray-spectroscopy analysis of electron-cyclotron-resonance ion-source plasmas}, journal = {Physical Review A}, volume = {82}, number = {6}, year = {2010}, note = {

Copyright (C) 2010 The American Physical SocietyPlease report any problems to prola@aps.orgPRAWebpage CFA-FCTUNLJPS-Ref41

}, pages = {062516}, publisher = {American Physical Society}, abstract = {

Analysis of x-ray spectra emitted by highly charged ions in an electron-cyclotron-resonance ion source (ECRIS) may be used as a tool to estimate the charge-state distribution (CSD) in the source plasma. For that purpose, knowledge of the electron energy distribution in the plasma, as well as the most important processes leading to the creation and de-excitation of ionic excited states are needed. In this work we present a method to estimate the ion CSD in an ECRIS through the analysis of the x-ray spectra emitted by the plasma. The method is applied to the analysis of a sulfur ECRIS plasma.

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.82.062516}, author = {J P Santos and A. M. Costa and J. P. Marques and M. C. Martins and P. Indelicato and F. Parente} } @article {199, title = {Electron impact ionization of atomic target inner-shells}, journal = {Journal of Physics: Conference Series}, volume = {194}, number = {4}, year = {2009}, pages = {042047}, abstract = {There is a need for reliable theoretical methods to calculate electron-impact total ionization cross sections for the large number of neutral atoms and ions with open shell structures. These cross sections are used in a wide range of scientific and industrial applications, such as astrophysical plasmas, atmospheric science, X-ray lasers, magnetic fusion, radiation physics, semiconductor fabrication, accelerator physics and tumor therapy physics. The binary-encounter-Bethe (BEB) model [1], using an analytic formula that requires only two atomic constants, the binding energy and kinetic energy of the electrons, generates direct ionization cross sections for any neutral atom (or molecule), which are reliable in intensity (15\%) and shape from the ionization threshold to a few keV in the incident energy [3], or to thousands keV if we consider its relativistic version(RBEB) [2]. In this work we present K- and L-shell ionization cross sections calculations for heavy atoms.}, doi = {DOI: 10.1088/1742-6596/194/4/042047}, url = {http://stacks.iop.org/1742-6596/194/042047}, author = {M Guerra and F. Parente and J P Santos} } @article {8050, title = {Electron impact ionization of atomic target inner-shells}, journal = {Journal of Physics: Conference Series}, volume = {194}, number = {4}, year = {2009}, note = {

Webpage CFA-FCTUNLJPS-Ref40

}, pages = {042047}, abstract = {

There is a need for reliable theoretical methods to calculate electron-impact total ionization cross sections for the large number of neutral atoms and ions with open shell structures. These cross sections are used in a wide range of scientific and industrial applications, such as astrophysical plasmas, atmospheric science, X-ray lasers, magnetic fusion, radiation physics, semiconductor fabrication, accelerator physics and tumor therapy physics. The binary-encounter-Bethe (BEB) model [1], using an analytic formula that requires only two atomic constants, the binding energy and kinetic energy of the electrons, generates direct ionization cross sections for any neutral atom (or molecule), which are reliable in intensity (15\%) and shape from the ionization threshold to a few keV in the incident energy [3], or to thousands keV if we consider its relativistic version(RBEB) [2]. In this work we present K- and L-shell ionization cross sections calculations for heavy atoms.

}, url = {http://stacks.iop.org/1742-6596/194/042047}, author = {M Guerra and F. Parente and J P Santos} } @article {200, title = {Negative-continuum effects on the two-photon decay rates of hydrogenlike ions}, journal = {Physical Review A (Atomic, Molecular, and Optical Physics)}, volume = {80}, number = {5}, year = {2009}, pages = {052511}, abstract = {Two-photon decay of hydrogenlike ions is studied within the framework of second-order perturbation theory, based on the relativistic Dirac{\textquoteright}s equation. Special attention is paid to the effects arising from the summation over the negative-energy (intermediate virtual) states that occur in such a framework. In order to investigate the role of these states, detailed calculations have been carried out for the 2s1/2{\textendash}>1s1/2 and 2p1/2{\textendash}>1s1/2 transitions in neutral hydrogen H as well as for hydrogenlike xenon Xe53+ and uranium U91+ ions. We found that for a correct evaluation of the total and energy-differential decay rates, summation over the negative-energy part of Dirac{\textquoteright}s spectrum should be properly taken into account both for high-Z and low-Z atomic systems.}, keywords = {atomic structure Dirac equation hydrogen neutral atoms perturbation theory relativistic corrections spontaneous emission uranium xenon}, doi = {DOI: 10.1103/PhysRevA.80.052511}, url = {http://link.aps.org/abstract/PRA/v80/e052511}, author = {A. Surzhykov and J P Santos and P Amaro and P. Indelicato} } @article {8123, title = {Negative-continuum effects on the two-photon decay rates of hydrogenlike ions}, journal = {Physical Review A}, volume = {80}, number = {5}, year = {2009}, note = {

Webpage CFA-FCTUNLJPS-Ref39

}, pages = {052511}, publisher = {APS}, abstract = {

Two-photon decay of hydrogenlike ions is studied within the framework of second-order perturbation theory, based on the relativistic Dirac\'s equation. Special attention is paid to the effects arising from the summation over the negative-energy (intermediate virtual) states that occur in such a framework. In order to investigate the role of these states, detailed calculations have been carried out for the 2s1/2--\>1s1/2 and 2p1/2--\>1s1/2 transitions in neutral hydrogen H as well as for hydrogenlike xenon Xe53+ and uranium U91+ ions. We found that for a correct evaluation of the total and energy-differential decay rates, summation over the negative-energy part of Dirac\'s spectrum should be properly taken into account both for high-Z and low-Z atomic systems.

}, url = {http://link.aps.org/abstract/PRA/v80/e052511}, author = {A. Surzhykov and J P Santos and P Amaro and P. Indelicato} } @article {201, title = {Production and decay of sulfur excited species in an electron-cyclotron-resonance ion-source plasma}, journal = {Physical Review A (Atomic, Molecular, and Optical Physics)}, volume = {80}, number = {3}, year = {2009}, pages = {032501}, abstract = {The most important processes for the creation of S12+ to S14+ ions excited states from the ground configurations of S9+ to S14+ ions in an electron cyclotron resonance ion source, leading to the emission of K x-ray lines, are studied. Theoretical values for inner-shell excitation and ionization cross sections, including double-KL and triple-KLL ionizations, transition probabilities and energies for the de-excitation processes, are calculated in the framework of the multiconfiguration Dirac-Fock method. With reasonable assumptions about the electron energy distribution, a theoretical Kalpha x-ray spectrum is obtained, which is compared to recent experimental data.}, keywords = {Dirac-Fock calculations excited states ground states inner-shell ionisation plasma sources plasma X-ray sources positive ions radiative lifetimes sulphur X-ray spectra}, doi = {DOI: 10.1103/PhysRevA.80.032501}, url = {http://link.aps.org/abstract/PRA/v80/e032501}, author = {M. C. Martins and J. P. Marques and A. M. Costa and J P Santos and F. Parente and S. Schlesser and E.-O. Le Bigot and P. Indelicato} } @article {8106, title = {Production and decay of sulfur excited species in an electron-cyclotron-resonance ion-source plasma}, journal = {Physical Review A}, volume = {80}, number = {3}, year = {2009}, note = {

Webpage CFA-FCTUNLJPS-Ref37

}, pages = {032501}, publisher = {APS}, abstract = {

The most important processes for the creation of S12+ to S14+ ions excited states from the ground configurations of S9+ to S14+ ions in an electron cyclotron resonance ion source, leading to the emission of K x-ray lines, are studied. Theoretical values for inner-shell excitation and ionization cross sections, including double-KL and triple-KLL ionizations, transition probabilities and energies for the de-excitation processes, are calculated in the framework of the multiconfiguration Dirac-Fock method. With reasonable assumptions about the electron energy distribution, a theoretical Kalpha x-ray spectrum is obtained, which is compared to recent experimental data.

}, url = {http://link.aps.org/abstract/PRA/v80/e032501}, author = {M. C. Martins and J. P. Marques and A. M. Costa and J P Santos and F. Parente and S. Schlesser and Le Bigot, E. O. and P. Indelicato} } @article {202, title = {Resonance effects on the two-photon emission from hydrogenic ions}, journal = {Physical Review A (Atomic, Molecular, and Optical Physics)}, volume = {79}, number = {6}, year = {2009}, pages = {062504}, abstract = {A theoretical study of the all two-photon transitions from initial bound states with ni=2,3 in hydrogenic ions is presented. High-precision values of relativistic decay rates for ions with nuclear charge in the range 1<=Z<=92 are obtained through the use of finite basis sets for the Dirac equation constructed from B splines. We also report the spectral (energy) distributions of several resonant transitions, which exhibit interesting structures, such as zeros in the emission spectrum, indicating that two-photon emission is strongly suppressed at certain frequencies. We compare two different approaches (the line profile approach and the QED approach based on the analysis of the relativistic two-loop self-energy) to regularize the resonant contribution to the decay rate. Predictions for the pure two-photon contributions obtained in these approaches are found to be in good numerical agreement.}, keywords = {bound states Dirac equation quantum electrodynamics radiative lifetimes two-photon processes}, doi = {DOI: 10.1103/PhysRevA.79.062504}, url = {http://link.aps.org/abstract/PRA/v79/e06250}, author = {P Amaro and J P Santos and F. Parente and A. Surzhykov and P. Indelicato} } @article {8141, title = {Resonance effects on the two-photon emission from hydrogenic ions}, journal = {Physical Review A}, volume = {79}, number = {6}, year = {2009}, note = {

Webpage CFA-FCTUNLJPS-Ref36

}, pages = {062504}, abstract = {

A theoretical study of the all two-photon transitions from initial bound states with ni=2,3 in hydrogenic ions is presented. High-precision values of relativistic decay rates for ions with nuclear charge in the range 1\<=Z\<=92 are obtained through the use of finite basis sets for the Dirac equation constructed from B splines. We also report the spectral (energy) distributions of several resonant transitions, which exhibit interesting structures, such as zeros in the emission spectrum, indicating that two-photon emission is strongly suppressed at certain frequencies. We compare two different approaches (the line profile approach and the QED approach based on the analysis of the relativistic two-loop self-energy) to regularize the resonant contribution to the decay rate. Predictions for the pure two-photon contributions obtained in these approaches are found to be in good numerical agreement.

}, url = {http://journals.aps.org/pra/abstract/10.1103/PhysRevA.79.062504}, author = {P Amaro and J P Santos and F. Parente and A. Surzhykov and P. Indelicato} } @article {8113, title = {Theoretical study of the molecular properties of methyl 2-azidopropionate and methyl 3-azidopropionate}, journal = {Journal of Molecular Structure: THEOCHEM}, volume = {894}, number = {1-3}, year = {2009}, note = {

doi: DOI: 10.1016/j.theochem.2008.10.007Webpage CFA-FCTUNL

}, pages = {80-87}, abstract = {

An extensive conformational analysis was carried at ab initio and DFT levels of theory on two molecules - methyl 2-azidopropionate (N3CH3CHCOOCH3) and methyl 3-azidopropionate (N3CH2CH2COOCH3). In each case, the lowest energy conformers were characterized and the energy barriers between them were estimated. Ionization energies and vibrational frequencies were also computed, in order to support future spectroscopic studies with ultraviolet photoelectron spectroscopy (UVPES) and matrix isolation infrared spectroscopy (Matrix Isolation FTIR).

}, url = {http://www.sciencedirect.com/science/article/B6TGT-4TPHRHP-2/2/bf3660141ac174abe19b12316c4366b3}, author = {R. M. Pinto and A. A. Dias and M. L. Costa} } @article {206, title = {Ionisation of phosphorus, arsenic, antimony, and bismuth by electron impact}, journal = {The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics}, volume = {47}, number = {3}, year = {2008}, pages = {339-350}, abstract = {Abstract.\ \ Total ionization cross sections of neutral phosphorus, arsenic, antimony, and bismuth atoms by electron impact are reported and compared to the only available experimental results by Freund et\ al. [Phys. Rev. A 41, 3575 (1990)]. These calculations take into account the possibilities that some target atoms used in the experiments were in metastable states close to the ground state, the excitation-autoionization of nsnp4 excited states may be substantial, and the ions produced in experiments may be in excited, low-lying metastable states. The cross sections for direct ionization calculations are based on the BEB model by Kim and Rudd [Phys. Rev. A 50, 3954 (1994)]. Plane-wave Born cross sections scaled by the method developed by Kim [Phys. Rev. A 64, 3954 032713 (2001)] are used to determine the contributions from excitation-autoionization. The combination of the BEB model and the scaled Born cross sections is in agreement with the experimental data by Freund et\ al. These theoretical data are useful to experimentalists and can be used to complete data tables needed for plasma or astrophysical studies.}, doi = {DOI: 10.1140/epjd/e2008-00063-9}, url = {http://www.springerlink.com/content/c83871050n3g0w53/}, author = {J P Santos and F. Parente} } @article {8065, title = {Ionisation of phosphorus, arsenic, antimony, and bismuth by electron impact}, journal = {The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics}, volume = {47}, number = {3}, year = {2008}, note = {

JPS-Ref35

}, pages = {339-350}, abstract = {

Abstract.\&nbsp;\&nbsp;Total ionization cross sections of neutral phosphorus, arsenic, antimony, and bismuth atoms by electron impact are reported and compared to the only available experimental results by Freund et\&nbsp;al. [Phys. Rev. A 41, 3575 (1990)]. These calculations take into account the possibilities that some target atoms used in the experiments were in metastable states close to the ground state, the excitation-autoionization of nsnp4 excited states may be substantial, and the ions produced in experiments may be in excited, low-lying metastable states. The cross sections for direct ionization calculations are based on the BEB model by Kim and Rudd [Phys. Rev. A 50, 3954 (1994)]. Plane-wave Born cross sections scaled by the method developed by Kim [Phys. Rev. A 64, 3954 032713 (2001)] are used to determine the contributions from excitation-autoionization. The combination of the BEB model and the scaled Born cross sections is in agreement with the experimental data by Freund et\&nbsp;al. These theoretical data are useful to experimentalists and can be used to complete data tables needed for plasma or astrophysical studies.

}, url = {http://www.springerlink.com/content/c83871050n3g0w53/}, author = {J P Santos and F. Parente} } @article {203, title = {Numerical methods for solving the Hartree-Fock equations of diatomic molecules I.}, journal = {Communications in Computational Physics}, volume = {5}, number = {5}, year = {2008}, note = {AMS subject classifications: 65N35, 65N22, 65F10}, pages = {959-985}, abstract = {The theory of domain decomposition is described and used to divide the variable domain of a diatomic molecule into separate regions which are solved independently. This approach makes it possible to use fast Krylov methods in the broad interior of the region while using explicit methods such as Gaussian elimination on the boundaries. As is demonstrated by solving a number of model problems, these methods enable one to obtain solutions of the relevant partial differential equations and eigenvalue equations accurate to six significant figures with a small amount of computational time. Since the numerical approach described in this article decomposes the variable space into separate regions where the equations are solved independently, our approach is very well-suited to parallel computing and offers the long term possibility of studying complex molecules by dividing them into smaller fragments that are calculated separately.}, keywords = {diatomic molecules, eigenvalue problem., Fast Krylov methods, Hartree-Fock equations, splines}, url = {http://www.global-sci.com/issue/abstract/readabs.php?vol=5\&page=959\&issue=5\&ppage=985\&year=2009}, author = {J. C. Morrison and S. Boyd and L. Marsano and B. Bialecki and T. Ericsson and J P Santos} } @article {205, title = {Spin-rotation and nuclear shielding constants of sulfur hexafluoride}, journal = {Molecular Physics}, volume = {106}, number = {9-10}, year = {2008}, pages = {1241-1247}, abstract = {We present a first theoretical determination of the hyperfine coupling constants of a spherical top molecule using ab initio methods. The scalar and tensorial contributions to the spin-rotation constants and the diamagnetic and paramagnetic contributions to the nuclear shielding constant are calculated for the 32SF6 molecule. The corrections to the spin-rotation constants due to nuclear Thomas precession are evaluated and discussed. Our results are compared with previously reported experimental values.}, doi = {DOI: 10.1080/00268970802112145}, url = {http://www.informaworld.com/10.1080/00268970802112145}, author = {M. L. Palma and J P Santos} } @article {8084, title = {Spin-rotation and nuclear shielding constants of sulfur hexafluoride}, journal = {Molecular Physics}, volume = {106}, number = {9-10}, year = {2008}, note = {

JPS-Ref34

}, pages = {1241-1247}, abstract = {

We present a first theoretical determination of the hyperfine coupling constants of a spherical top molecule using \<i\>ab initio\</i\> methods. The scalar and tensorial contributions to the spin-rotation constants and the diamagnetic and paramagnetic contributions to the nuclear shielding constant are calculated for the \<sup\>32\</sup\>SF\<sub\>6\</sub\> molecule. The corrections to the spin-rotation constants due to nuclear Thomas precession are evaluated and discussed. Our results are compared with previously reported experimental values.

}, url = {http://www.informaworld.com/10.1080/00268970802112145}, author = {M. L. Palma and J P Santos} } @article {204, title = {X-ray spectra emitted by Cl14+ ions in ECRIS plasmas}, journal = {Vacuum}, volume = {82}, number = {12}, year = {2008}, pages = {1522-1524}, abstract = {We study the contribution of the most important processes leading to the creation of excited states of Cl14+ ions from the ground configurations of Cl ions in an Electron Cyclotron Resonance Ion Source (ECRIS), which lead to the emission of K X-ray lines. Theoretical values for inner-shell excitation, K and KL ionization cross-sections, and energies and transition probabilities for the de-excitation processes are calculated in the framework of the Multi-Configuration Dirac-Fock (MCDF) method. With reasonable assumptions about the electron energy distribution, a theoretical K[alpha] X-ray spectrum is obtained, which reproduces closely a recent experimental result.}, keywords = {Atomic transitions energies and probabilities X-rays Ions Plasma ECRIS}, doi = {DOI: 10.1016/j.vacuum.2008.03.044}, url = {http://www.sciencedirect.com/science/article/B6TW4-4S7J5BD-1/2/a782372850632e3a054bae3940737471}, author = {J P Santos and M. C. Martins and A. M. Costa and P. Indelicato and F. Parente} } @article {8056, title = {X-ray spectra emitted by Cl14+ ions in ECRIS plasmas}, journal = {Vacuum}, volume = {82}, number = {12}, year = {2008}, note = {

JPS-Ref33

}, pages = {1522-1524}, abstract = {

We study the contribution of the most important processes leading to the creation of excited states of Cl14+ ions from the ground configurations of Cl ions in an Electron Cyclotron Resonance Ion Source (ECRIS), which lead to the emission of K X-ray lines. Theoretical values for inner-shell excitation, K and KL ionization cross-sections, and energies and transition probabilities for the de-excitation processes are calculated in the framework of the Multi-Configuration Dirac-Fock (MCDF) method. With reasonable assumptions about the electron energy distribution, a theoretical K[alpha] X-ray spectrum is obtained, which reproduces closely a recent experimental result.

}, url = {http://www.sciencedirect.com/science/article/B6TW4-4S7J5BD-1/2/a782372850632e3a054bae3940737471}, author = {J P Santos and M. C. Martins and A. M. Costa and P. Indelicato and F. Parente} } @article {207, title = {Experimental and theoretical transition probabilities for lines arising from the 6p configurations of Au II}, journal = {Journal of Physics B: Atomic, Molecular and Optical Physics}, volume = {40}, number = {24}, year = {2007}, pages = {4651}, abstract = {Experimental relative transition probabilities for the 16 more pro-eminent lines arising from the 6p configurations of Au II were determined from the emission-line intensities in a laser-produced plasma. The experiment was carried out using a Cu-Au alloy with 10\% Au content in order to obtain an optically thin plasma. Transition probabilities were placed on an absolute scale by using theoretical lifetimes calculated in this work, line-strength sum rules and Boltzmann plot. A comparison has been conducted between present experimental results, the theoretical data available and new calculations with the multi-configuration Dirac-Fock method reported in this work, as well as a study of the plasma conditions.}, url = {http://stacks.iop.org/0953-4075/40/4651}, author = {R. Mayo and M. Ortiz and F. Parente and J P Santos} } @article {8110, title = {Experimental and theoretical transition probabilities for lines arising from the 6p configurations of Au II}, journal = {Journal of Physics B: Atomic, Molecular and Optical Physics}, volume = {40}, number = {24}, year = {2007}, note = {

JPS-Ref32

}, pages = {4651}, abstract = {

Experimental relative transition probabilities for the 16 more pro-eminent lines arising from the 6p configurations of Au II were determined from the emission-line intensities in a laser-produced plasma. The experiment was carried out using a Cu-Au alloy with 10\% Au content in order to obtain an optically thin plasma. Transition probabilities were placed on an absolute scale by using theoretical lifetimes calculated in this work, line-strength sum rules and Boltzmann plot. A comparison has been conducted between present experimental results, the theoretical data available and new calculations with the multi-configuration Dirac-Fock method reported in this work, as well as a study of the plasma conditions.

}, url = {http://stacks.iop.org/0953-4075/40/4651}, author = {R. Mayo and M. Ortiz and F. Parente and J P Santos} } @article {208, title = {QED and relativistic corrections in superheavy elements}, journal = {The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics}, volume = {45}, year = {2007}, note = {10.1140/epjd/e2007-00229-y PACS. 31.30.Jv Relativistic and quantum electrodynamic effects in atoms and molecules - 31.25.Eb Electron correlation calculations for atoms and ions: ground state - 31.25.Jf Electron correlation calculations for atoms and ions: excited states - 32.70.Cs Oscillator strengths, lifetimes, transition moments}, pages = {155-170}, abstract = {In this paper we review the different relativistic and QED contributions to energies, ionic radii, transition probabilities and Land{\'e} g-factors in super-heavy elements, with the help of the MultiConfiguration Dirac-Fock method (MCDF). The effects of taking into account the Breit interaction to all orders by including it in the self-consistent field process are demonstrated. State of the art radiative corrections are included in the calculation and discussed. We also study the non-relativistic limit of MCDF calculation and find that the non-relativistic offset can be unexpectedly large.}, url = {http://dx.doi.org/10.1140/epjd/e2007-00229-y}, author = {P. Indelicato and J P Santos and S. Boucard and J. P. Descalux} } @article {8153, title = {QED and relativistic corrections in superheavy elements}, journal = {The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics}, volume = {45}, year = {2007}, note = {

10.1140/epjd/e2007-00229-yPACS. 31.30.Jv Relativistic and quantum electrodynamic effects in atoms and molecules - 31.25.Eb Electron correlation calculations for atoms and ions: ground state - 31.25.Jf Electron correlation calculations for atoms and ions: excited states - 32.70.Cs Oscillator strengths, lifetimes, transition moments JPS-Ref31

}, pages = {155-170}, abstract = {

In this paper we review the different relativistic and QED contributions to energies, ionic radii, transition probabilities and Land{\'e} g-factors in super-heavy elements, with the help of the MultiConfiguration Dirac-Fock method (MCDF). The effects of taking into account the Breit interaction to all orders by including it in the self-consistent field process are demonstrated. State of the art radiative corrections are included in the calculation and discussed. We also study the non-relativistic limit of MCDF calculation and find that the non-relativistic offset can be unexpectedly large.Topical Issue on the Atomic Properties of the Heaviest Elements

}, url = {http://dx.doi.org/10.1140/epjd/e2007-00229-y }, author = {P. Indelicato and J P Santos and S. Boucard and J. P. Descalux} } @article {209, title = {Relativistic calculation of K\α hypersatellite line energies and transition probabilities for selected atoms with 12<=Z<=80}, journal = {Journal of Physics B: Atomic, Molecular and Optical Physics}, volume = {40}, number = {1}, year = {2007}, pages = {57}, abstract = {The transition probabilities of K\α hypersatellite lines and energy shifts with respect to the corresponding diagram lines are computed using the Dirac\–Fock model for several values of atomic number Z throughout the periodic table. The influence of the Breit interaction on the K\α1h/K\α2h line intensity ratio, K\α1h and K\α2h line energy shifts and K\α1h to K\α2h line energy splitting is evaluated. Double-K shell hole threshold values for selected elements with 23 \⩽Z\⩽ 30, calculated within the same approach, are compared with available experimental results.}, url = {http://stacks.iop.org/0953-4075/40/57}, author = {A. M. Costa and M. C. Martins and J P Santos and P. Indelicato and F. Parente} } @article {8053, title = {Relativistic calculation of K\&alpha; hypersatellite line energies and transition probabilities for selected atoms with 12 <= Z <= 80}, journal = {Journal of Physics B: Atomic, Molecular and Optical Physics}, volume = {40}, number = {1}, year = {2007}, note = {

JPS-Ref30

}, pages = {57}, abstract = {

The transition probabilities of K\&alpha; hypersatellite lines and energy shifts with respect to the corresponding diagram lines are computed using the Dirac\&ndash;Fock model for several values of atomic number \<I\>Z\</I\> throughout the periodic table. The influence of the Breit interaction on the K\&alpha;\<SUB\>1\</SUB\>\<SUP\>h\</SUP\>/K\&alpha;\<SUB\>2\</SUB\>\<SUP\>h\</SUP\> line intensity ratio, K\&alpha;\<SUB\>1\</SUB\>\<SUP\>h\</SUP\> and K\&alpha;\<SUB\>2\</SUB\>\<SUP\>h\</SUP\> line energy shifts and K\&alpha;\<SUB\>1\</SUB\>\<SUP\>h\</SUP\> to K\&alpha;\<SUB\>2\</SUB\>\<SUP\>h\</SUP\> line energy splitting is evaluated. Double-K shell hole threshold values for selected elements with 23 \&les;\<I\>Z\</I\>\&les; 30, calculated within the same approach, are compared with available experimental results.

}, url = {http://stacks.iop.org/0953-4075/40/57 }, author = {A. M. Costa and M. C. Martins and J P Santos and P. Indelicato and F. Parente} } @article {8087, title = {Relativistic calculation of Kβ hypersatellite energies and transition probabilities for selected atoms with 13 <= Z <= 80}, journal = {Journal of Physics B: Atomic and Molecular Physics}, volume = {39 }, number = {11}, year = {2006}, note = {

JPS-Ref29

}, pages = {2355{\textendash}2366}, abstract = {

Energies and transition probabilities of Kβ hypersatellite lines are computed using the Dirac{\textendash}Fock model for several values of Z throughout the periodic table. The influence of the Breit interaction on the energy shifts from the corresponding diagram lines and on the Kβh1/Kβh3 intensity ratio is evaluated. The widths of the double-K hole levels are calculated for Al and Sc. The results are compared to experiment and to other theoretical calculations.Al_Sc_Mg_Ti

}, url = {http://www.iop.org/EJ/abstract/0953-4075/39/11/004}, author = {A. M. Costa and M. C. Martins and J P Santos and P. Indelicato and F. Parente} } @article {212, title = {Relativistic calculation of Kβ hypersatellite energies and transition probabilities for selected atoms with 13<=Z<=80}, journal = {Journal of Physics B: Atomic and Molecular Physics}, volume = {39}, number = {11}, year = {2006}, pages = {2355{\textendash}2366}, abstract = {Energies and transition probabilities of Kβ hypersatellite lines are computed using the Dirac{\textendash}Fock model for several values of Z throughout the periodic table. The influence of the Breit interaction on the energy shifts from the corresponding diagram lines and on the Kβh1/Kβh3 intensity ratio is evaluated. The widths of the double-K hole levels are calculated for Al and Sc. The results are compared to experiment and to other theoretical calculations.}, url = {http://www.iop.org/EJ/abstract/0953-4075/39/11/004}, author = {A. M. Costa and M. C. Martins and J P Santos and P. Indelicato and F. Parente} } @article {213, title = {Relativistic correlation correction to the binding energies of the ground configuration of beryllium-like, neon-like, magnesium-like and argon-like ions}, journal = {The European Physical Journal D}, volume = {37}, number = {2}, year = {2006}, note = {DOI: 10.1140/epjd/e2006-00002-x PACS 31.30.Jv - Relativistic and quantum electrodynamic effects in atoms and molecules. 31.25.Eb - Electron correlation calculations for atoms and ions: ground state.}, pages = {201-207}, abstract = {Total electronic correlation corrections to the binding energies of the isoelectronic series of beryllium, neon, magnesium and argon, are calculated in the framework of relativistic multiconfiguration Dirac-Fock method. Convergence of the correlation energies is studied as the active set of orbitals is increased. The Breit interaction is treated fully self-consistently. The final results can be used in the accurately determination of atomic masses from highly charged ions data obtained in Penning-trap experiments.}, url = {http://www.edpsciences.org/articles/epjd/abs/2006/02/d05302/d05302.html}, author = {J P Santos and G. C. Rodrigues and J. P. Marques and F. Parente and J. P. Desclaux and P. Indelicato} } @article {8048, title = {Relativistic correlation correction to the binding energies of the ground configuration of beryllium-like, neon-like, magnesium-like and argon-like ions}, journal = {The European Physical Journal D}, volume = {37}, number = {2}, year = {2006}, note = {

DOI: 10.1140/epjd/e2006-00002-xPACS31.30.Jv - Relativistic and quantum electrodynamic effects in atoms and molecules.31.25.Eb - Electron correlation calculations for atoms and ions: ground state. JPS-Ref28

}, pages = {201-207}, abstract = {

Total electronic correlation corrections to the binding energies of the isoelectronic series of beryllium, neon, magnesium and argon, are calculated in the framework of relativistic multiconfiguration Dirac-Fock method. Convergence of the correlation energies is studied as the active set of orbitals is increased. The Breit interaction is treated fully self-consistently. The final results can be used in the accurately determination of atomic masses from highly charged ions data obtained in Penning-trap experiments.

}, url = {http://www.edpsciences.org/articles/epjd/abs/2006/02/d05302/d05302.html}, author = {J P Santos and G. C. Rodrigues and J. P. Marques and F. Parente and J. P. Desclaux and P. Indelicato} } @article {210, title = {Theoretical study of the molecular properties of benzyl azide, 2-, 3- and 4-methyl benzyl azide}, journal = {The European Physical Journal D - Atomic, Molecular and Optical Physics}, volume = {39}, number = {3}, year = {2006}, note = {31.15.Ar - Ab initio calculations. 33.15.Bh - General molecular conformation and symmetry; stereochemistry. 33.15.Dj - Interatomic distances and angles. 33.15.Ry - Ionization potentials, electron affinities, molecular core binding energy.}, pages = {379-384}, abstract = {Ab initio and density functional calculations have been performed to study the benzyl azide, 2-, 3- and 4-methyl benzyl azides. Several molecular properties, such as conformational equilibrium, optimal geometry, and vibrational frequencies, have been computed for these molecules. Ionisation energies were also computed.}, url = {http://www.edpsciences.org/articles/epjd/abs/2006/09/d05513/d05513.html}, author = {J P Santos and M. L. Costa and R. I. Olariu and F. Parente} } @article {8091, title = {Theoretical study of the molecular properties of benzyl azide, 2-, 3- and 4-methyl benzyl azide}, journal = {The European Physical Journal D - Atomic, Molecular and Optical Physics}, volume = {39}, number = {3}, year = {2006}, note = {

31.15.Ar - Ab initio calculations. 33.15.Bh - General molecular conformation and symmetry; stereochemistry. 33.15.Dj - Interatomic distances and angles. 33.15.Ry - Ionization potentials, electron affinities, molecular core binding energy. JPS-Ref217

}, pages = {379-384}, abstract = {

Ab initio and density functional calculations have been performed to study the benzyl azide, 2-, 3- and 4-methyl benzyl azides. Several molecular properties, such as conformational equilibrium, optimal geometry, and vibrational frequencies, have been computed for these molecules. Ionisation energies were also computed.

}, url = {http://www.edpsciences.org/articles/epjd/abs/2006/09/d05513/d05513.html}, author = {J P Santos and M. L. Costa and R. I. Olariu and F. Parente} } @article {211, title = {Transition wavelengths and probabilities for spectral lines of Zr III}, journal = {The European Physical Journal D}, volume = {39}, year = {2006}, note = {DOI: 10.1140/epjd/e2006-00101-8 PACS 31.25.Jf - Electron correlation calculations for atoms and ions: excited states. 32.30.Jc - Visible and ultraviolet spectra. 32.70.Cs - Oscillator strengths, lifetimes, transition moments.}, pages = {167-172}, abstract = {Wavelengths and oscillator strengths for all dipole-allowed fine-structure transitions in Zr III have been calculated within the Multi-Configuration Dirac-Fock method with QED corrections. These transitions are included in the spectrum of some chemically peculiar stars, like the B-type star Lupi observed by the Hubble space telescope. The results are compared to existing experimental and semi-empirical data.}, url = {http://www.edpsciences.org/articles/epjd/abs/first/d05530/d05530.html}, author = {M. C. Martins and J P Santos and A. M. Costa and F. Parente} } @article {8085, title = {Transition wavelengths and probabilities for spectral lines of Zr III}, journal = {The European Physical Journal D}, volume = {39}, year = {2006}, note = {

DOI: 10.1140/epjd/e2006-00101-8PACS 31.25.Jf - Electron correlation calculations for atoms and ions: excited states. 32.30.Jc - Visible and ultraviolet spectra. 32.70.Cs - Oscillator strengths, lifetimes, transition moments. JPS-Ref26

}, pages = {167-172}, abstract = {

Wavelengths and oscillator strengths for all dipole-allowed fine-structure transitions in Zr III have been calculated within the Multi-Configuration Dirac-Fock method with QED corrections. These transitions are included in the spectrum of some chemically peculiar stars, like the B-type star Lupi observed by the Hubble space telescope. The results are compared to existing experimental and semi-empirical data. Corr

}, url = {http://www.edpsciences.org/articles/epjd/abs/first/d05530/d05530.html}, author = {M. C. Martins and J P Santos and A. M. Costa and F. Parente} } @article {217, title = {Contrasting Behavior in Azide Pyrolyses: An Investigation of the Thermal Decompositions of Methyl Azidoformate, Ethyl Azidoformate and 2-Azido-N, N-dimethylacetamide by Ultraviolet Photoelectron Spectroscopy and Matrix Isolation Infrared Spectroscopy}, journal = {Chemistry - A European Journal}, volume = {11}, number = {5}, year = {2005}, note = {10.1002/chem.200400767 About DOI}, pages = {1665-1676}, abstract = {The thermal decompositions of methyl azidoformate (N3COOMe), ethyl azidoformate (N3COOEt) and 2-azido-N,N-dimethylacetamide (N3CH2CONMe2) have been studied by matrix isolation infrared spectroscopy and real-time ultraviolet photoelectron spectroscopy. N2 appears as an initial pyrolysis product in all systems, and the principal interest lies in the fate of the accompanying organic fragment. For methyl azidoformate, four accompanying products were observed: HNCO, H2CO, CH2NH and CO2, and these are believed to arise as a result of two competing decomposition routes of a four-membered cyclic intermediate. Ethyl azidoformate pyrolysis yields four corresponding products: HNCO, MeCHO, MeCHNH and CO2, together with the five-membered-ring compound 2-oxazolidone. In contrast, the initial pyrolysis of 2-azido-N,N-dimethyl acetamide, yields the novel imine intermediate Me2NCOCHNH, which subsequently decomposes into dimethyl formamide (HCONMe2), CO, Me2NH and HCN. This intermediate was detected by matrix isolation IR spectroscopy, and its identity confirmed both by a molecular orbital calculation of its IR spectrum, and by the temperature dependence and distribution of products in the PES and IR studies. Mechanisms are proposed for the formation and decomposition of all the products observed in these three systems, based on the experimental evidence and the results of supporting molecular orbital calculations.}, keywords = {azides IR spectroscopy matrix isolation photoelectron spectrosopy}, author = {J. M. Dyke and G. Levita and A. Morris and J. S. Ogden and A. A. Dias and M. Algarra and J P Santos and M. L. Costa and P. Rodrigues and M. M. Andrade and M. T. Barros} } @article {8125, title = {Contrasting Behavior in Azide Pyrolyses: An Investigation of the Thermal Decompositions of Methyl Azidoformate, Ethyl Azidoformate and 2-Azido-N, N-dimethylacetamide by Ultraviolet Photoelectron Spectroscopy and Matrix Isolation Infrared Spectroscopy}, journal = {Chemistry - A European Journal}, volume = {11}, number = {5}, year = {2005}, note = {

10.1002/chem.200400767 About DOIJPS-Ref25

}, pages = {1665-1676}, abstract = {

The thermal decompositions of methyl azidoformate (N3COOMe), ethyl azidoformate (N3COOEt) and 2-azido-N,N-dimethylacetamide (N3CH2CONMe2) have been studied by matrix isolation infrared spectroscopy and real-time ultraviolet photoelectron spectroscopy. N2 appears as an initial pyrolysis product in all systems, and the principal interest lies in the fate of the accompanying organic fragment. For methyl azidoformate, four accompanying products were observed: HNCO, H2CO, CH2NH and CO2, and these are believed to arise as a result of two competing decomposition routes of a four-membered cyclic intermediate. Ethyl azidoformate pyrolysis yields four corresponding products: HNCO, MeCHO, MeCHNH and CO2, together with the five-membered-ring compound 2-oxazolidone. In contrast, the initial pyrolysis of 2-azido-N,N-dimethyl acetamide, yields the novel imine intermediate Me2NCOCHNH, which subsequently decomposes into dimethyl formamide (HCONMe2), CO, Me2NH and HCN. This intermediate was detected by matrix isolation IR spectroscopy, and its identity confirmed both by a molecular orbital calculation of its IR spectrum, and by the temperature dependence and distribution of products in the PES and IR studies. Mechanisms are proposed for the formation and decomposition of all the products observed in these three systems, based on the experimental evidence and the results of supporting molecular orbital calculations.

}, author = {J. M. Dyke and G. Levita and A. Morris and J. S. Ogden and A. A. Dias and M. Algarra and J P Santos and M. L. Costa and P. Rodrigues and M. M. Andrade and M. T. Barros} } @article {215, title = {Relativistic transition probabilities for F-like ions with 10PACS: 31.25.Jf; 32.30.Rj; 32.70.Cs JPS-Ref22

}, pages = {171-173}, abstract = {

In the present work we have calculated several relativistic transition probabilities for the F-like ions with 10 less-than-or-equals, slant Z less-than-or-equals, slant 49, in the framework of the Multi-Configuration Dirac{\textendash}Fock method, for applications on laserphysics and astrophysics. The lines considered correspond to transitions between levels of 2p43s, 2p43p and 2p43d configurations. The spectral fine structure is taken into consideration and the results for individual lines are given.

}, url = {http://www.sciencedirect.com/science/article/pii/S0168583X05003976}, author = {J P Santos and Madruga, C. and F. Parente and P. Indelicato} } @article {8136, title = {X-ray energies of circular transitions and electron screening in kaonic atoms}, journal = {Physical Review A}, volume = {71}, number = {3}, year = {2005}, note = {

doi:10.1103/PhysRevA.71.032501PACS: 36.10.Gv, 32.30.RjJPS-Ref24

}, pages = {032501 EP -}, publisher = {American Physical Society}, abstract = {

The QED contribution to the energies of the circular (n, = n{\textendash}1), 2n13, transitions have been calculated for several kaonic atoms throughout the periodic table, using the current world-average kaon mass. Calculations were done in the framework of the Klein-Gordon equation, with finite nuclear size, finite particle size, and all-order Uelhing vacuum polarization corrections, as well as K{\"a}ll{\'e}n and Sabry and Wichmann and Kroll corrections. These energy level values are compared with other computed values. The circular transition energies are compared with available measured and theoretical transition energies. Electron screening is evaluated using a Dirac-Fock model for the electronic part of the wave function. The effect of electronic wave-function correlation is evaluated.Exo

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.71.032501}, author = {J P Santos and F. Parente and S. Boucard and J. P. Desclaux} } @article {218, title = {X-ray energies of circular transitions and electrons screening in kaonic atoms}, journal = {Physical Review A}, volume = {71}, number = {3}, year = {2005}, note = {doi:10.1103/PhysRevA.71.032501 PACS: 36.10.Gv, 32.30.Rj}, pages = {032501}, abstract = {The QED contribution to the energies of the circular (n, = n{\textendash}1), 2n13, transitions have been calculated for several kaonic atoms throughout the periodic table, using the current world-average kaon mass. Calculations were done in the framework of the Klein-Gordon equation, with finite nuclear size, finite particle size, and all-order Uelhing vacuum polarization corrections, as well as K{\"a}ll{\'e}n and Sabry and Wichmann and Kroll corrections. These energy level values are compared with other computed values. The circular transition energies are compared with available measured and theoretical transition energies. Electron screening is evaluated using a Dirac-Fock model for the electronic part of the wave function. The effect of electronic wave-function correlation is evaluated.}, keywords = {32.30.Rj, PACS: 36.10.Gv}, url = {URL: http://link.aps.org/abstract/PRA/v71/e032501}, author = {J P Santos and F. Parente and S. Boucard and P. Indelicato and J. P. Desclaux} } @article {doi:10.1016/j.nimb.2005.03.174, title = {X-ray energies of circular transitions in sigmonic atoms}, journal = {Nuclear Instruments and Methods in Physics Research Section B}, volume = {235}, number = {1-4}, year = {2005}, note = {PACS: 36.10.-k; 36.10.Gv; 32.30.Rj}, pages = {206}, abstract = {Energies of the circular (n, l = n - 1) 1 less-than-or-equals, slant n less-than-or-equals, slant 20 levels have been calculated for hydrogenlike sigmonic atoms with 1 less-than-or-equals, slant Z less-than-or-equals, slant 92, using the current world average sigma mass, as well as the electronic shift in Σ- + Ne e- + nucleus systems, where Ne stands for the number of electrons. The electronic influence on sigmonic orbitals has also been investigated through the computation of the hyperfine structure and the anomalous Σ- magnetic moment effects in sigmonic Be 2p states.}, keywords = {Atoms, Circular transitions, Energy levels, Sigmas}, url = {http://www.sciencedirect.com/science/article/B6TJN-4G4PBK0-7/2/798669402d5eb2148a21977d81182a40}, author = {J P Santos and F. Parente and S. Boucard and P. Indelicato} } @article {8149, title = {X-ray energies of circular transitions in sigmonic atoms}, journal = {Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms}, volume = {235}, number = {1{\textendash}4}, year = {2005}, note = {

PACS: 36.10.-k; 36.10.Gv; 32.30.RjJPS-Ref23

}, pages = {206-209}, abstract = {

Energies of the circular (n, l = n - 1) 1 less-than-or-equals, slant n less-than-or-equals, slant 20 levels have been calculated for hydrogenlike sigmonic atoms with 1 less-than-or-equals, slant Z less-than-or-equals, slant 92, using the current world average sigma mass, as well as the electronic shift in Σ- + Ne e- + nucleus systems, where Ne stands for the number of electrons. The electronic influence on sigmonic orbitals has also been investigated through the computation of the hyperfine structure and the anomalous Σ- magnetic moment effects in sigmonic Be 2p states.Exo

}, url = {http://www.sciencedirect.com/science/article/pii/S0168583X05003861}, author = {J P Santos and F. Parente and S. Boucard and P. Indelicato} } @book {8152, title = {M{\'e}todos Matem{\'a}ticos para F{\'\i}sicos e Engenheiros}, year = {2004}, note = {n/a}, month = {Oct 14}, pages = {1-558}, abstract = {n/a}, author = {J P Santos and M. F. Laranjeira} } @article {8093, title = {Relativistic calculation of two-electron one-photon and hypersatellite transition energies for 12\<=Z\<=30 elements}, journal = {Journal of Physics B: Atomic and Molecular Physics}, volume = {37}, year = {2004}, note = {

JPS-Ref20

}, pages = {3785-3795}, abstract = {

Energies of two-electron one-photon transitions from initial double K-hole states were computed using the Dirac{\textendash}Fock model. The transition energies of competing processes, the Ka hypersatellites, were also computed. The results are compared with experiment and to other theoretical calculations.

}, url = {http://www.iop.org/EJ/abstract/0953-4075/37/19/001/}, author = {M. C. Martins and A. M. Costa and J P Santos and F. Parente and P. Indelicato} } @article {8132, title = {A Study of the Thermal Decomposition of 2-Azidoacetamide by Ultraviolet Photoelectron Spectroscopy and Matrix-Isolation Infrared Spectroscopy: Identification of the Imine Intermediate H2NCOCHNH}, journal = {The Journal of Physical Chemistry A}, volume = {108}, number = {25}, year = {2004}, note = {

DOI: 10.1021/jp031288sJPS-Ref21

}, pages = {5299-5307}, publisher = {American Chemical Society}, abstract = {

The thermal decomposition of 2-azidoacetamide (N3CH2CONH2) has been studied by matrix-isolation infrared spectroscopy and real-time ultraviolet photoelectron spectroscopy. N2, CH2NH, HNCO, CO, NH3, and HCN are observed as high-temperature decomposition products, while at lower temperatures, the novel imine intermediate H2NCOCHNH is observed in the matrix-isolation IR experiments. The identity of this intermediate is confirmed both by ab initio molecular orbital calculations of its IR spectrum and by the temperature dependence and distribution of products in the photoelectron spectroscopy (PES) and IR studies. Mechanisms are proposed for the formation and decomposition of the intermediate consistent both with the observed results and with estimated activation energies based on pathway calculations.

}, url = {http://dx.doi.org/10.1021/jp031288s}, author = {J. M. Dyke and G. Levita and A. Morris and J. S. Ogden and A. A. Dias and M. Algarra and J P Santos and M. L. Costa and P. Rodrigues and M. T. Barros} } @article {8138, title = {Systematic calculation of total atomic energies of ground state configurations}, journal = {Atomic Data and Nuclear Data Tables}, volume = {86}, number = {2}, year = {2004}, note = {

doi:10.1016/j.adt.2003.11.005JPS-Ref19

}, pages = {117-233}, abstract = {

We present a systematic study of atomic binding energies, in the Dirac{\textendash}Fock approximation, for the Lithium (3 electrons) to the Dubnium (105 electrons) isoelectronic series. In each series we have considered all atomic numbers from the one corresponding to the neutral atom up to Z=118. We have obtained the ground state configurations for several heavy ions with charge larger than one.

}, url = {http://www.sciencedirect.com/science/article/pii/S0092640X03000846}, author = {G. C. Rodrigues and P. Indelicato and J P Santos and P. Patt{\'e} and F. Parente} } @article {8114, title = {Cross sections for K-shell ionization of atoms by electron impact}, journal = {Journal of Physics B: Atomic and Molecular Physics}, volume = {36}, number = {21}, year = {2003}, note = {

DOI: 10.1088/0953-4075/36/21/002JPS-Ref18

}, pages = {4211-4224}, abstract = {

The relativistic version of the binary-encounter Bethe (BEB) model is used to calculate cross sections for K-shell ionization of atoms by electron impact. The BEB model requires only two atomic constants, the binding energy and kinetic energy of the K electrons. These constants are listed for carbon to antimony. Comparisons with available experimental data on N, O, Na, Al, Cl, Ca, Cu, Se and Sb show good agreement. The K-shell ionization cross sections for C, Mg, P, S, Cr, As and Cd are tabulated.

}, url = {http://stacks.iop.org/0953-4075/36/4211}, author = {J P Santos and F. Parente and Kim, Y. K.} } @article {8066, title = {Energy levels of hydrogenlike kaonic atoms}, journal = {Hyperfine Interactions}, volume = {146-147}, year = {2003}, note = {

JPS-Ref17

}, pages = {325}, abstract = {

Energies of the [( n ,l= n -1),1= n =20] and the [( n ,l= n -2),2= n =20] levels have been calculated for several hydrogenlike kaonic atoms throughout the periodic table, using the current world average kaon mass. Calculations were done in the framework of the Klein{\textendash}Gordon equation, with finite nuclear size and all-order vacuum polarization corrections.

}, url = {http://www.springerlink.com/content/k0701556x6365266/}, author = {J P Santos and F. Parente and S. Boucard and P. Indelicato} } @article {8082, title = {Systematic calculation of Total Atomic Binding Energies}, journal = {Hyperfine Interactions}, volume = {146-147}, year = {2003}, note = {

JPS-Ref16

}, pages = {115-119}, abstract = {n/a}, author = {P. Indelicato and G. C. Rodrigues and J P Santos and P. Patt{\'e} and J. P. Marques and F. Parente} } @article {8121, title = {Theoretical study of the molecular properties of methyl azidoformate and ethyl azidoformate}, journal = {Journal of Molecular Structure: THEOCHEM}, volume = {639}, number = {1-3}, year = {2003}, note = {

doi:10.1016/S0166-1280(03)00603-1JPS-Ref15

}, pages = {109-115}, abstract = {

Ab initio calculations have been performed to study the methyl azidoformate (N3COOCH3) and the ethyl azidoformate (N3COOCH2CH3). Several molecular properties, such as conformational equilibrium, optimal geometry, and vibrational frequencies, have been computed for these molecules. Ionization energies based on Koopman\'s theorem were also computed.

}, url = {http://dx.doi.org/10.1016/S0166-1280(03)00603-1}, author = {J P Santos and M. L. Costa and F. Parente} } @article {8099, title = {Two-Electron One-Photon Transtion Relativistic Calculations for Low-Z Elements}, journal = {Nuclear Instruments and Methods in Physics Research B}, volume = {205}, year = {2003}, note = {

JPS-Ref14

}, pages = {102-105}, abstract = {

Energies of two-electron one-photon transitions from initial double K-hole states and the transition energies of competing processes, namely K hyper-satellites, were computed for low-Z elements, using the multi-configuration Dirac{\textendash}Fock method. Transition rates are also evaluated.

}, author = {J P Santos and M. C. Martins and A. M. Costa and P. Indelicato and F. Parente} } @article {8096, title = {Calculation of the triple to double ionization cross-section ratio of Li in the suddem approximation}, journal = {Europhysics Letters}, volume = {55}, number = {4}, year = {2001}, note = {

JPS-Ref11

}, pages = {479}, abstract = {

The triple-to-double ionization cross-section ratio of Li in the high-energy limit was computed in the sudden approximation with relativistic wave functions. Together with the calculated value of Dalgarno and Sadeghpour (Phys. Rev. A, 46 (1992) R3591), for the Li double-to-single ionization cross-section ratio, the value of 6.263x10-5 was obtained for the triple-to-single ionization cross-section ratio. This value is in full agreement with Wehlitz et al. experimental value of (6.38+-2.40)x10-5 obtained recently with synchrotron radiation (Phys. Rev. Lett., 81 (1998) 1813).

}, author = {J P Santos and M. F. Laranjeira and F. Parente} } @article {8130, title = {Dirac-Fock Transition Energies and Radiative and Radiationless Transition Probabilities for Ar8+ to Ar16+ Ion Levels with K-Shell Hole}, journal = {Atomic Data and Nuclear Data Tables}, volume = {79}, number = {2}, year = {2001}, note = {

JPS-Ref11

}, pages = {223-239}, abstract = {n/a}, author = {A. M. Costa and M. C. Martins and J P Santos and P. Indelicato and F. Parente} } @article {8135, title = {Interpretation of X-ray spectra emitted by Ar ions in an ECR ion source}, journal = {Journal of Physics B: Atomic and Molecular Physics}, volume = {34}, number = {4}, year = {2001}, note = {

JPS-Ref11

}, pages = {533-543}, abstract = {

We examine the most important processes leading to the creation of excited states from the ground configurations of Ar8+ to Ar16+ ions in an electron-cyclotron resonance ion source, which lead to the emission of K x-ray lines. Theoretical values for inner-shell excitation and ionization cross sections, including double KL ionization, transition probabilities and energies for the de-excitation processes, are calculated in the framework of the multi-configuration Dirac-Fock method. With reasonable assumptions about the electron energy distribution, a theoretical K x-ray spectrum is obtained, which reproduces very closely a recent experimental result.

}, url = {http://www.iop.org/EJ/S/3/797/n3vIvAPcBsXED4sdE9bQ0Q/abstract/-search=399174.1/0953-4075/34/4/303}, author = {M. C. Martins and A. M. Costa and J P Santos and P. Indelicato and F. Parente} } @article {8068, title = {Ionization of boron, aluminum, gallium, and indium by electron impact}, journal = {Physical Review A}, volume = {64}, number = {5}, year = {2001}, note = {

DOI: 10.1103/PhysRevA.64.052707PACS: 34.80.Dp

}, pages = {052707}, abstract = {

Measurements of electron impact ionization of neutral Al, Ga, and In show large cross sections compared to other elements in the same rows of the periodic table. Semiempirical and classical calculations of direct ionization cross sections are all substantially smaller. Calculations by McGuire [Phys. Rev. A 26, 125 (1982)] for aluminum that include excitations to autoionizing 3s3p2 doublet levels are 2.5 times higher than experiment at the peak. We report the direct ionization cross sections based on the binary-encounter-Bethe model of Kim and Rudd [Phys. Rev. A 50, 3954 (1994)], which is an ab initio theory. We add the autoionization contribution using scaled plane-wave Born cross sections as recently developed by Kim [Phys. Rev. A 64, 032713 (2001)] for excitations to the first set of autoionizing levels. Dirac-Fock wave functions are used for the atomic structure. Our results are in excellent agreement with experimental values and support substantial contributions from excitation-autoionization to the total ionization cross sections for these elements. We also compare the total ionization cross section of boron to available theories, though no experimental data are available.

}, url = {http://link.aps.org/abstract/PRA/v64/e052707}, author = {Kim, Y. K. and Stone, P. M.} } @article {8081, title = {Relativistic and many-body effects on total binding energies of Cesium and other highly-charged ion}, journal = {Physica Scripta}, volume = {T92}, year = {2001}, note = {

JPS-Ref10

}, pages = {327}, abstract = {

The determination of atomic masses from highly ionized atoms using Penning Traps requires precise values for electronic binding energies. In the present work, binding energies of several ions (from several elements) are calculated in the framework of two relativistic many-body methods: Relativistic Many-Body Perturbation Theory (RMBPT) and Multi-Configuration Dirac{\textendash} Fock (MCDF). The ions studied in this work are: Cl (He and Li-like), Se (F and Ne-like), Cs (He, Be, Ne, Al, Cl, Ar, K, Kr, Xe-like and neutral Cs), Hg, Pb and U (Br and Kr-like). Some of them are presented in this paper. Cesium has been treated in more details, allowing for a systematic comparison between MCDF and RMBPT methods. The Cs ions binding energies allow for the determination of atomic Cs mass, which can be used in a QED-independent fine structure constant determination.

}, author = {P. Indelicato and G. C. Rodrigues and E. Lindroth and M. A. Ourdane and F. Parente and J P Santos and P. Patt{\'e} and J. Bieron} } @article {8092, title = {Relativistic Calculations for Trapped Ions}, journal = {Hyperfine Interactions}, volume = {132}, number = {1/4}, year = {2001}, note = {

JPS-Ref09

}, pages = {347-361}, abstract = {

We present recent results in the field of total binding energy calculations, Land\&shchcy; factors, quantum electrodynamics corrections and lifetime that are of interest for ion traps and ion sources. We describe in detail MCDF and RMBPT calculation of ionic binding energies, which are needed for the determination of atomic masses from highly charged ion measurements. We also show new results concerning Land\&shchcy; factor in 3-electron ions. Finally we describe how relativistic calculations can help understand the physics of heavy ion production ion sources.

}, url = {http://www.springerlink.com/content/h32m6mq8w8578482/}, author = {P. Indelicato and E. Lindroth and T. Beier and J. Bieron and A. M. Costa and I. Lindgren and J. P. Marques and Martenson-Pendrill, A M and M. C. Martins and M. A. Ourdane and F. Parente and P. Patt{\'e} and G. C. Rodrigues and S. Salomonson and J P Santos} } @article {8058, title = {Spontaneous relativistic two-photon decay rate mathematical expression in heliumlike systems}, journal = {The European Physical Journal D}, volume = {13}, number = {1}, year = {2001}, note = {

JPS-Ref08

}, pages = {27-31}, abstract = {

We derive a theoretical expression for the two-photon emission rate of two-electron systems, in a form suitable for easy implementation in numerical calculations. Racah algebra techniques were used to extended previous work on two-photon emission in hydrogen-like systems to more complex ones. The obtained expression is, as far as we are aware, the first general expression that gives the spontaneous two-photon decay rates of helium-like systems for any combination of multipoles.

}, url = {http://www.ed-phys.fr/articles/epjd/abs/2001/01/d0092/d0092.html}, author = {J P Santos and P. Patt{\'e} and F. Parente and P. Indelicato} } @article {8126, title = {Extension of the binary-encounter-dipole model to relativistic incident electrons}, journal = {Physical Review A}, volume = {62}, year = {2000}, note = {

JPS-Ref07

}, pages = {052710}, abstract = {

Formulas for the total ionization cross section by electron impact based on the binary-encounter-dipole (BED) model and its simpler version, the binary-encounter-Bethe (BEB) model are extended to relativistic incident electron energies. Total ionization cross sections for the hydrogen and helium atoms from the new relativistic formulas are compared to experimental data. Relativistic effects double the total ionization cross section of H and He at incident electron energy 300 keV and dominate the cross section thereafter. A simple modification of the original BED-BEB formulas is proposed for applications to ion targets and inner-shell electrons of neutral atoms and molecules. The relativistic and nonrelativistic BEB cross sections are compared to the K-shell ionization cross sections by electron impact for the carbon, argon, nickel, niobium, and silver atoms. For carbon and argon, the relativistic effects are small, and both forms of the BEB cross sections agree well with available experimental data. For the nickel and heavier atoms, the relativistic increase of cross sections becomes noticeable from about 100 keV and higher in the incident electron energy. The empirical formula by Casnati et al. [J. Phys. B 15, 155 (1982)] after correcting for relativistic effects as shown by Quarles [Phys. Rev. A 13, 1278 (1976)] agrees well with the BEB cross sections for light atoms. However, the peak values of the Casnati cross sections become higher than the relativistic BEB peak cross sections as the atomic number increases. The BEB model is also applied to the total ionization cross section of the xenon atom, and the theory agrees well with experiments at low incident electron energies, but disagrees with experiment at relativistic incident energies.

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.62.052710}, author = {Kim, Y. K. and J P Santos and F. Parente} } @article {8107, title = {Relativistic 2s1/2 (L1) atomic subshell radiationless transition probabilities for Yb and Hg}, journal = {Atomic Data and Nuclear Data Tables}, volume = {76}, number = {1}, year = {2000}, note = {

doi:10.1006/adnd.2000.0837JPS-Ref06

}, pages = {49-69}, abstract = {

Radiationless transition rates to L1 vacancy states have been calculated ab initio in the Dirac-Fock approximation. The calculations include quantum-electrodynamic corrections. Results in the jj coupling scheme for all possible L1 transitions are tabulated for elements Yb and Hg.

}, author = {J P Santos and J. P. Marques and F. Parente and P. Indelicato and J. P. Desclaux} } @article {8088, title = {Relativistic 2s1/2 (L1) atomic subshell decay rates and fluorescence yields for Yb and Hg}, journal = {Journal of Physics B: Atomic and Molecular Physics}, volume = {32}, year = {1999}, note = {

JPS-Ref05

}, pages = {2089}, abstract = {n/a}, url = {http://iopscience.iop.org/0953-4075/32/9/304/}, author = {J P Santos and J. P. Marques and F. Parente and E. Lindroth and P. Indelicato and J. P. Desclaux} } @article {8059, title = {Rydberg states of atoms in parallel electric and magnetic fields}, journal = {Physical Review A}, volume = {59}, number = {2}, year = {1999}, note = {

JPS - Ref 04

}, pages = {1703-1706}, publisher = {American Physical Society}, abstract = {

We present theoretical results for the photoabsorption spectrum of an atom in parallel electric and magnetic fields, using the R-matrix method combined with quantum-defect theory. We introduce a radial basis set which is complete and orthonormal over a semi-infinite interval [r0,(infinity)), to allow calculations to be performed for high Rydberg states in nonhydrogenic atoms without encountering problems due to linear dependence of the basis set. The nonhydrogenic character of the spectra is analyzed for Li and Rb, and a comparison is made with previous high-precision experiments which shows that the theoretical results agree very well with experiment.

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.59.1703}, author = {J P Santos and F. Mota-Furtado and M. F. Laranjeira and F. Parente} } @article {8086, title = {Application of B-splines finite basis sets to relativistic two-photon decay rates of 2s level in hydrogenic ions}, journal = {The European Physical Journal D}, volume = {3}, number = {1}, year = {1998}, note = {

JPS-Ref03

}, pages = {43-52}, type = {10.1007/s100530050147}, abstract = {

A theoretical study of the one- and two-photon spontaneous emission rates from the 2 s1/2 state of one-electron ions is presented. High-precision values of the relativistic emission rates for ions with nuclear charge Z up to 100 are obtained through the use of finite basis sets for the Dirac equation constructed from B-splines. Furthermore, we analyze the influence of the inclusion of quantum electrodynamics corrections in the initial and final state energies.

}, url = {http://dx.doi.org/10.1007/s100530050147}, author = {J P Santos and F. Parente and P. Indelicato} } @article {8147, title = {Multiconfiguration Dirac-Fock calculation of 2s1/2-2p3/2 transition energies in highly ionized bismuth, thorium, and uranium}, journal = {The European Physical Journal D}, volume = {1}, year = {1998}, note = {

JPS-Ref02

}, pages = {149-163}, abstract = {

Structure and QED effects for 2s1/2 and 2p3/2 levels are calculated for lithiumlike U89+ trough neonlike U82+, lithiumlike Th87+ trough neonlike Th80+ and lithiumlike Bi80+ trough neonlike Bi73+. The results of the first two sets are compared with recent measurements of the 2s1/2-2p3/2 transition energy in 3 to 10-electron ions. Good agreement with experiment is found for most of the observed lines. Forty-one possible transitions are calculated for each ion in the eight ionization states, in the experimental energy range. Twenty-eight of these transitions have not been observed, nor calculated previously. We also calculate transition rates, branching ratios, excitation and ionization cross sections and confirm that the thirteen experimental observed transitions correspond to the ones with highest relative intensities. However, we find nineteen more transitions that could be measured in a more sensitive experiment.X

}, author = {J P Santos and J. P. Marques and F. Parente and E. Lindroth and S. Boucard and P. Indelicato} } @article {8062, title = {Rydberg wave packets in parallel electric and magnetic fields}, journal = {Physical Review A}, volume = {55}, number = {5}, year = {1997}, note = {

JPS-Ref01

}, pages = {3724-3729}, abstract = {

The magnitude of the time autocorrelation function M between states excited by two Gaussian laser pulses is calculated for both hydrogen and rubidium atoms inparallel electric and magnetic fields. M is determined by a full quantum-mechanical calculation but the peaks are identified with the periods of the shortest periodicorbits of the corresponding classical system. Qualitative agreement is obtained with experimental results, however, discrepancies are found in the relative heights ofthe peaks.

}, author = {I. Moser and F. Mota-Furtado and O\'Mahony, P F and J P Santos} }