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Safari, L., P. Amaro, J. P. Santos, and F. Fratini. "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>&." Physical Review A 90 (2014): 014502. AbstractWebsite

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.

Safari, L., P. Amaro, S. Fritzsche, J. P. Santos, and F. Fratini. "Relativistic total cross section and angular distribution for Rayleigh scattering by atomic hydrogen." Phys. Rev. A 85 (2012): 043406. AbstractWebsite

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=90∘ 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.

Safari, L., P. Amaro, S. Fritzsche, J. P. Santos, S. Tashenov, and F. Fratini. "Relativistic polarization analysis of Rayleigh scattering by atomic hydrogen." Phys. Rev. A 86 (2012): 043405. AbstractWebsite

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.

Safari, L., P. Amaro, S. Fritzsche, J. P. Santos, and F. Fratini. "Relativistic total cross section and angular distribution for Rayleigh scattering by atomic hydrogen." Physical Review A 85 (2012): 043406. AbstractWebsite

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=90∘ 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.

Safari, L., P. Amaro, S. Fritzsche, J. P. Santos, S. Tashenov, and F. Fratini. "Relativistic polarization analysis of Rayleigh scattering by atomic hydrogen." Physical Review A 86 (2012): 043405. AbstractWebsite

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.

Safari, L., J. P. Santos, P. Amaro, K. Jankala, and F. Fratini. "Analytical evaluation of atomic form factors: Application to Rayleigh scattering." Journal of Mathematical Physics 56 (2015): 052105-9. AbstractWebsite
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Safari, L., P. Amaro, J. P. Santos, and F. Fratini. "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>&." Physical Review A 90 (2014): 014502. AbstractWebsite

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.

Sampaio, J. M., M. Guerra, T. I. Madeira, F. Parente, P. Indelicato, J. P. Santos, and J. P. Marques. "Relativistic calculations of atomic parameters in Ununoctium." Journal of Physics: Conference Series 635 (2015): 092095-2. AbstractWebsite
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Sampaio, J. M., T. I. Madeira, J. P. Marques, F. Parente, A. M. Costa, P. Indelicato, J. P. Santos, M. - C. Lépy, and Y. Ménesguen. "Approaches for theoretical and experimental determinations of K-shell decay rates and fluorescence yields in Ge." Physical Review A 89 (2014): 012512. AbstractWebsite
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Sampaio, J. M., T. I. Madeira, M. Guerra, F. Parente, J. P. Santos, P. Indelicato, and J. P. Marques. "Dirac-Fock calculations of K−, L−, and M-shell fluorescence and Coster-Kronig yields for Ne, Ar, Kr, Xe, Rn, and Uuo." Physical Review A 91 (2015): 052507. AbstractWebsite
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Sampaio, J. M., T. I. Madeira, M. Guerra, F. Parente, P. Indelicato, J. P. Santos, and J. P. Marques. "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 of Quantitative Spectroscopy and Radiative Transfer 182 (2016): 87-93. AbstractWebsite

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

Sampaio, J. M., T. I. Madeira, J. P. Marques, F. Parente, A. M. Costa, P. Indelicato, J. P. Santos, M. - C. Lépy, and Y. Ménesguen. "Approaches for theoretical and experimental determinations of K-shell decay rates and fluorescence yields in Ge." Physical Review A 89 (2014): 012512. AbstractWebsite
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Sampaio, J. M., T. I. Madeira, F. Parente, P. Indelicato, J. P. Santos, and J. P. Marques. "Relativistic calculations of M-shell photoionization and X-ray production cross-sections for Hg at 5.96 keV excitation energy." Radiation Physics and Chemistry 107 (2014): 36. AbstractWebsite

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.

Sampaio, J. M., T. I. Madeira, F. Parente, P. Indelicato, J. P. Santos, and J. P. Marques. "Relativistic calculations of M-shell photoionization and X-ray production cross-sections for Hg at 5.96 keV excitation energy." Radiation Physics and Chemistry 107 (2015): 36. AbstractWebsite

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.

Sampaio, J. M., M. Guerra, F. Parente, T. I. Madeira, P. Indelicato, J. P. Santos, and J. P. Marques. "Calculations of photo-induced X-ray production cross-sections in the energy range 1–150 keV and average fluorescence yields for Zn, Cd and Hg." Atomic Data and Nuclear Data Tables 111-112 (2016): 67-86. AbstractWebsite

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

Santos, J. P., Mauro Guerra, Jorge M. Sampaio, Gonçalo R. Vília, César A. Godinho, Daniel Pinheiro, Pedro Amaro, José P. Marques, Jorge Machado, Paul Indelicato, Fernando Parente, and José Paulo Santos. "Fundamental Parameters Related to Selenium K\alpha and K\beta Emission X-ray Spectra." Atoms (2021). AbstractWebsite
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Santos, J. P., M. L. Costa, R. I. Olariu, and F. Parente. "Theoretical study of the molecular properties of benzyl azide, 2-, 3- and 4-methyl benzyl azide." The European Physical Journal D - Atomic, Molecular and Optical Physics 39 (2006): 379-384. AbstractWebsite
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.
Santos, S. C. P. L., M. E. Cruz, A. M. E. Barroso, C. P. S. Fonseca, M. Guerra, M. L. Carvalho, and J. P. Santos. "Elemental characterization of plants and soils in Panasqueira tungsten mining region." Journal of Soils Sediments 14 (2014): 778. AbstractWebsite

... 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 ...

Santos, J. P., M. C. Martins, A. M. Costa, P. Indelicato, and F. Parente. "Two-Electron One-Photon Transtion Relativistic Calculations for Low-Z Elements." Nuclear Instruments and Methods in Physics Research B 205 (2003): 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–Fock method. Transition rates are also evaluated.

Santos, J. P., and M. F. Laranjeira. Métodos Matemáticos para Físicos e Engenheiros., 2004. Abstract
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Santos, J. P., and F. Parente. "Ionisation of phosphorus, arsenic, antimony, and bismuth by electron impact." The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics 47 (2008): 339-350. AbstractWebsite

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.

Santos, J. P., M. F. Laranjeira, and F. Parente. "Calculation of the triple to double ionization cross-section ratio of Li in the suddem approximation." Europhysics Letters 55 (2001): 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).

Santos, J. P., J. P. Marques, F. Parente, E. Lindroth, S. Boucard, and P. Indelicato. "Multiconfiguration Dirac-Fock calculation of 2s1/2-2p3/2 transition energies in highly ionized bismuth, thorium, and uranium." The European Physical Journal D 1 (1998): 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

Santos, J. P. "HCI 2018." X-Ray Spectrometry (2020). AbstractWebsite
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Santos, J. P., A. M. Costa, M. C. Martins, P. Indelicato, and F. Parente. "K X-Ray Energies and Transition Probabilities for He-, Li- and Be-like Praseodymium ions." J. Phys.: Conf. Ser. 388 (2012): 152018. AbstractWebsite

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].