Multi-configuration Hartree and Dirac-fock Calculations of Atomic Hyperfine Structures

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Abstract

Recent multi-configuration Hartree-Fock (MCHF) calculations of atomic hyperfine structures are reviewed. In particular, spin-polarization and relativistic effects are considered. Using a systematic active space MCHF approach, combined with large multi-reference configuration interaction (MR-CI) calculations, it is shown that hyperfine structures in many cases can be calculated very accurately. For few-electron systems, like lithium and beryllium, the remaining discrepancies between theory and experiments largely come from neglected relativistic effects, showing the necessity of fully relativistic calculations even for these systems. The physical effects of relativity on the hyperfine structure are discussed and fully relativistic multi-configuration Dirac-Fock (MCDF) calculations using the systematic active space approach are performed for lithium-like fluorine.

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  • Atom and Molecular Physics and Optics
Original languageEnglish
Pages (from-to)678-687
JournalPhysica Scripta. Topical Issues
Volume48
Issue number6
Publication statusPublished - 1993
Publication categoryResearch
Peer-reviewedYes