RELATIVISTIC MR-MP ENERGY LEVELS FOR L-SHELL IONS OF SULFUR AND ARGON.

ABSTRACT: Calculated level energies for valence and K-vacancy states are provided for the ion series S VII - S XIV and Ar IX - Ar XVI. The calculations were performed with the relativistic Multi-Reference Mxller-Plesset Perturbation Theory method (MR-MP). The data set includes all the level energies with configurations 1s22(s, p) q , 1s22(s, p) q-1nl, 1s12(s, p) q+1, 1s12(s, p) qnl, 2(s, p) q+2 and 2(s, p) q+1nl, where 1 ≤ q ≤ 8, n ≤ 5 and l ≤ 3. We have compared our results with data from the National Institute of Standards and Technology (NIST) on-line database and with previous calculations. The average deviation of valence level energies ranges from 0.16 eV in Ne-like ions to 0.01 eV in Li-like ions, showing that the present MR-MP valence level energies are highly accurate. In the case of K-vaca

SUBMITTER: Santana JA 

PROVIDER: S-EPMC6200352 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature