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-vacancy states, the deviation is generally below 0.3 eV for Li-like S XIV and Ar XVI. The deviation for K-vacancy energies in other L-shell ions (Be-, B-, C-, N- and O-like Ar ions) is higher but likely because the NIST-recommended values have a higher uncertainty. The data set includes many n = 4 and n = 5 valence and K-vacancy levels in L-shell ions of S and Ar not previously reported. The data can be used for line identification and modeling of L-shell ions of S and Ar in astrophysical and laboratory-generated plasmas, and as energy references in the absence of more accurate laboratory measurements.

Energy levels, transition rates and electron impact excitation rates for B-like Kr XXXII

“…In our previous work [34], we reported extensive and highly accurate energy levels, transition rates and electron impact excitation rates for B-like ions with Z = 24 − 30, and discussed the importance of the radiative damping effect. The accuracy of energy levels was comparable to those performed by the relativistic Multi-Reference Møller-Plesset Perturbation theory (MR-MP) [35][36][37]. In this work, we extend our previous research to Z = 36, as a continuation of our recent efforts [11-13, 34, 38-44] to provide self-consistent, large-scale and accurate atomic data.…”

Fully relativistic many-body perturbation energies, transition properties, and lifetimes of lithium-like iron Fe XXIV

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