Relativistic Hartree-Fock and Dirac-Fock atomic structure and radiative parameter calculations in nine-times ionized xenon (Xe X)

A new set of oscillator strengths and transition probabilities is reported for 92 radiative transitions of nine-times ionized xenon, Xe X, in the extreme ultraviolet region from 110 to 164 Å. They have been obtained by two different theoretical approaches, i.e. the pseudo-relativistic Hartree-Fock (HFR) and the fully relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) methods, which allowed us to estimate the precision of the final results. The eigenvector compositions are also given for the first time for all the experimentally known energy levels in Xe X. © 201

Calculations of atomic transition probabilities in Hf VI using a multi-platform approach

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Calculations of transition rates in erbium-like ions Lu IV, Hf V and Ta VI using the Ab initio MCDHF-RCI and semi-empirical HFR methods

In the present paper, the radiative properties of three ions belonging to the erbium isoelectronic sequence, i.e. Lu IV, Hf V and Ta IV, are reported and the effect of configuration interaction on these properties are taken into account for the first time to our knowledge. These heavy elements with Z=71–73 are located near to tungsten (Z=74) in the Periodic Table and are of potential interest in controlled thermonuclear fusion. Indeed, they could be used in plasma-facing materials such as the divertors in tokamaks or/and could be generated by neutron-induced transmutations of divertor's materials. In this work, two independent theoretical atomic structure computational approaches have been considered, i.e. the semi-empirical Hartree–Fock with relativistic corrections method (HFR) and the ab initio multiconfiguration Dirac–Hartree–Fock with subsequent relativistic configuration interaction method (MCDHF-RCI). The transition probabilities and the oscillator strengths have been calculated for 593, 820 and 1101 E1 transitions in Lu IV, Hf V and Ta VI respectively spanning the spectral range from UV to IR. Finally, this study also underlines the importance of core-valence correlations in these heavy atomic ions. © 2020 Elsevier Inc

Ab initio MCDHF/RCI and semi-empirical HFR calculations of transition probabilities and oscillator strengths in Xe XI

The atomic structure of ten-times ionized xenon (Xe XI) has been computed by two independent methods, i.e. the ab initio relativistic multiconfiguration Dirac–Hartree–Fock (MCDHF) approach within the relativistic configuration interaction (RCI) approximation and the semi-empirical pseudo-relativistic Hartree–Fock (HFR) method. The transition probabilities and oscillator strengths of the 4d8 − (4p54d9 + 4d75p + 4d74f) transition array have been determined in both models and allowed us to estimate their accuracy taking into account both the gauge agreements and the cancellation effects on the line strengths. It has been found that core – core and core – valence correlations through the explicit inclusion of single- to triple-hole 4p-subshell configurations in our RCI model systematically decrease the transition rates by about 20% for the strong lines (with log gf > 0) with respect to our HFR values that did not consider those effects. Further opening of the core shells has also been investigated and did not give rise to significant systematic change on the transition probabilities. © 2019 Elsevier Lt