Hyperfine Structures ab-initio Calculations of the 2p4(3P)3d2S+1LJ States in the Fluorine Atom

Authors

Fatima Zahra Boualili
Laboratoire d’Électronique Quantique, Faculté de Physique, USTHB, BP32, El-Alia, Algiers, Algeria
Messaoud Nemouchi
Laboratoire d’Électronique Quantique, Faculté de Physique, USTHB, BP32, El-Alia, Algiers
Michel Godefroid
Spectroscopy, Quantum Chemistry and Atmospheric Remote Sensing (SQUARES), CP160/09, Université libre de Bruxelles, 1050 Brussels, Belgium
Per Jönsson
Department of Materials Science and Applied Mathematics, Malmö University, SE-20506 Malmö, Sweden

Synopsis

In previous work devoted to 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 LS-term mixing becomes crucial. In the present work, we identify new levels belonging to the spectroscopic terms 2p4(3P)3d2;4(P; D; F ) of the fluorine atom, for which correlation effects on the hyperfine structures are small, but relativistic LS-term admixtures are decisive to correctly reproduce the experimental values.

ICCAP2021
Published
March 8, 2022