CI+MBPT calculations of Ar I energies, g factors, and transition line strengths

Savukov, I. M.

doi:10.1088/1361-6455/aaac0d

Title: CI+MBPT calculations of Ar I energies, g factors, and transition line strengths

Journal Article · 31 January 2018 · Journal of Physics. B, Atomic, Molecular and Optical Physics

DOI: https://doi.org/10.1088/1361-6455/aaac0d · OSTI ID:1475359

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Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Excited states of noble gas atoms present certain challenges to atomic theory for several reasons: first, relativistic effects are important and LS coupling is not optimal; second, energy intervals can be quite small, leading to strong mixing of states; third, many-body perturbation theory for hole states does not converge well. Previously, some attempts were made to solve this problem, using for example the all-order coupled-cluster approach and particle-hole configuration-interaction many-body perturbation theory (CI-MBPT) with modified denominators. However, while these approaches were promising, the accuracy was still limited. In this study, we calculate Ar I energies, g factors, and transition amplitudes using ab initio CI-MBPT with eight valence electrons to avoid the problem of slow convergence of MBPT due to strong interaction between 3p and 3s states. We also included in CI many dominant states obtained by double excitations of the ground state configuration. Thus perturbation corrections were needed only for 1s, 2s, 2p core electrons non-included in valence-valence CI, which are quite small. We found that energy, g factors, and electric dipole matrix elements are in reasonable agreement with experiments. It is noteworthy that the theory agreed well with accurately measured g factors. Finally, experimental oscillator strengths have large uncertainty, so in some cases we made a comparison with average values.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1475359

Report Number(s):: LA-UR-18-20021

Journal Information:: Journal of Physics. B, Atomic, Molecular and Optical Physics, Vol. 51, Issue 6; ISSN 0953-4075

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 1 work

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