Benchmarking calculations of level energies, transition parameters and electron impact excitation cross sections of S-like Xe38

Atomic structure parameters for levels corresponding to 2s22p63s23p4, 2s22p63s3p5, 2s22p63s23p23d2, 2s22p63s3p43d and 2s22p63s23p33d configurations of S-like Xe38+ are calculated using the fully relativistic multiconfiguration Dirac-Hatree-Fock (MCDHF) method followed by the subsequent relativistic...

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Veröffentlicht in:Spectrochimica acta. Part B: Atomic spectroscopy 2024-04, Vol.214, p.106897, Article 106897
Hauptverfasser: Rathi, Shikha, Sharma, Lalita
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Sprache:eng
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Zusammenfassung:Atomic structure parameters for levels corresponding to 2s22p63s23p4, 2s22p63s3p5, 2s22p63s23p23d2, 2s22p63s3p43d and 2s22p63s23p33d configurations of S-like Xe38+ are calculated using the fully relativistic multiconfiguration Dirac-Hatree-Fock (MCDHF) method followed by the subsequent relativistic configuration interaction (RCI) calculations. The parameters evaluated include energies of the lowest 75 levels and E1, M1, E2, and M2 transition parameters among these levels. The effect of the choice of virtual orbitals for generating the wavefunctions is discussed. The accuracy of our line strengths is established through the rigorous calculations of their associated uncertainties using three different methods. Another set of calculations using the many-body perturbation theory (MBPT) to validate the present MCDHF-RCI energies is carried out. Further, the electron impact excitation cross-sections using the relativistic distorted wave (RDW) theory are determined for all transitions from the ground and metastable states in the incident electron energy range from the excitation threshold to 10 keV. For plasma physics applications, the fitting parameters for these cross sections employing two distinct equations tailored for low and high-energy regimes are reported. Moreover, the rate coefficients are determined in the electron temperatures range of 15 eV to 100 eV by taking into account the Maxwellian electron energy distribution function and our computed cross-sections. In addition to addressing the atomic data gap in highly charged Xe ions, the present results are of good accuracy and can serve as benchmark tests for other theoretical evaluations. Moreover, they can also assist in line identification of the complex spectra of highly charged sulphur-like xenon ions. [Display omitted] •Relativistic calculations for energies and transition parameters using the MCDHF-RCI and MBPT methods for 75 levels of Xe38+ are performed•Uncertainties in transition parameters are estimated using three different statistical approaches•EIE cross sections from ground/ metastable states to higher levels for incident electron energies up to 10 keV are reported•Maxwellian-averaged excitation rate coefficients are also calculated for electron temperatures ranging from 15–100 eV
ISSN:0584-8547
1873-3565
DOI:10.1016/j.sab.2024.106897