English

Theoretical Hyperfine Structures of $^{19}$F~I and $^{17}$O~I

Atomic Physics 2018-04-12 v1

Abstract

Multiconfiguration Hartree-Fock (MCHF) and multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations are performed for the 2p5 2Po2p^{5}~^{2}P^{o}, 2p4(3P)3s 4P2p^4(^{3}P)3s~^{4}P, 2p4(3P)3s 2P2p^4(^{3}P)3s~^{2}P and 2p4(3P)3p 4So2p^4(^{3}P)3p~^{4}S^o states of 19^{19}F~I to determine their hyperfine constants. Several computing strategies are considered to investigate electron correlation and relativistic effects. High-order correlation contributions are included in MCHF calculations based on single and double multireference (SD-MR) expansions. The largest components of the single reference MCHF wave functions are selected to define the MR sets. In this scheme, relativistic corrections are evaluated in the Breit-Pauli approximation. A similar strategy is used for the calculation of MCDHF relativistic wave functions and hyperfine parameters. While correlation and relativistic corrections are found to be rather small for the ground state, we highlight large relativistic effects on the hyperfine constant A3/2A_{3/2} of 2p4(3P)3p 4So2p^4(^{3}P)3p~^{4}S^o and, to a lesser extent, on A1/2A_{1/2} of 2p4(3P)3s 4P2p^4(^{3}P)3s~^{4}P. As expected for such a light system, electron correlation effects dominate over relativity in the calculation of the hyperfine interaction of all other levels considered. We also revisit the hyperfine constants of 2p3(4S)3s 5So2p^3(^{4}S)3s~^{5}S^{o} and 2p3(4S)3p 5P2p^3(^{4}S)3p~^{5}P in 17^{17}O using similar strategies. The results are found to be in excellent agreement with experiment.

Keywords

Cite

@article{arxiv.1804.03952,
  title  = {Theoretical Hyperfine Structures of $^{19}$F~I and $^{17}$O~I},
  author = {Nouria Aourir and Messaoud Nemouchi and Michel Godefroid and Per Jönsson},
  journal= {arXiv preprint arXiv:1804.03952},
  year   = {2018}
}