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

Jönsson, PerLund University,Lunds universitet,Atomfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Atomic Physics,Department of Physics,Departments at LTH,Faculty of Engineering, LTH (författare)

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.

Ingår i:Physica Scripta. Topical Issues: IOP Publishing48:6, s. 678-6870281-1847
Ingår i:Physica Scripta: IOP Publishing48:6, s. 678-6870031-89491402-4896

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