Relativistic and semi-theoretical calculations of K-shell to L-shell/subshell vacancy transfer probabilities

Berkani, B. and Kahoul, A. and Sampaio, J.M. and Daoudi, S. and Marques, J.P. and Parente, F. and Hamidani, A. and Croft, S. and Favalli, A. and Kasri, Y. and Zidi, A. and Amari, K. (2025) Relativistic and semi-theoretical calculations of K-shell to L-shell/subshell vacancy transfer probabilities. Spectrochimica Acta Part B: Atomic Spectroscopy, 224: 107089. ISSN 0584-8547

Text (SAPB-D-24-00316_-_Revised_Manuscript)
SAPB-D-24-00316_-_Revised_Manuscript.pdf - Accepted Version
Available under License Creative Commons Attribution.
Download (585kB)

Abstract

In this study, we use the relativistic multiconfiguration Dirac–Fock method (MCFD) to compute the probabilities of radiative and radiationless vacancy transfer from K- to L1-, L2-, and L3− subshells in 16S, 18Ar, 22Ti, 29Cu, 30Zn, 32Ge, 33As, 34Se, 36Kr, 40Zr, 48Cd, 50Sn, 52Te, 80Hg, 83Bi, and 86Rn atoms. Semi-theoretical calculations for elements within the atomic range of 18 ≤ Z ≤ 96 (18Ar to 96Cm) were also conducted, leveraging available data on radiative and radiationless transitions from the scientific literature. The theoretical calculation results aligned well with the values calculated semi-theoretically and with other published works. However, some notable differences were identified.