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 Møller–Plesset Perturbation Theory method (MR-MP). The data set includes all the level energies with configurations , , , , , and , 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) online 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 that have not been 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.