José Paulo Santos

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.

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.

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.

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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.

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.

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.

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

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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.

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.

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

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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.

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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.

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–Fock method. With reasonable assumptions about the electron energy distribution, a theoretical Kα x-ray spectrum was obtained, which was then compared with recent experimental data.

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.

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.

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