Weak Correlation and Strong Relativistic Effects on the Hyperfine Interaction in Fluorine
Abstract
In previous work devoted to {\it ab initio} calculations of hyperfine structure constants in nitrogen and fluorine atoms, we observed sizeable relativistic effects, a priori unexpected for such light systems, that can even largely dominate over electron correlation. We observed that the atomic wave functions calculated in the Breit-Pauli approximation describe adequately the relevant atomic levels and hyperfine structures, even in cases for which a small relativistic -term mixing becomes crucial. In the present work we identify new levels belonging to the spectroscopic terms of the fluorine atom, for which correlation effects on the hyperfine structures are small, but relativistic -term admixtures are decisive to correctly reproduce the experimental values. The Breit-Pauli analysis of the hyperfine matrix elements nails cases with large cancellation, either between pairs for individual hyperfine operators, or between the orbital and the spin-dipole contributions. Multiconfiguration Dirac-Hartree-Fock calculations are performed to support the Breit-Pauli analysis.
Cite
@article{arxiv.2108.01116,
title = {Weak Correlation and Strong Relativistic Effects on the Hyperfine Interaction in Fluorine},
author = {Fatima Zahra Boualili and Messaoud Nemouchi and Michel Godefroid and Per Jönsson},
journal= {arXiv preprint arXiv:2108.01116},
year = {2021}
}