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

Jönsson, Per LU (1993) In Physica Scripta. Topical Issues 48(6). p.678-687
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... (More)
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. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physica Scripta. Topical Issues
volume
48
issue
6
pages
678 - 687
publisher
IOP Publishing
external identifiers
  • Scopus:0027814638
ISSN
0281-1847
DOI
10.1088/0031-8949/48/6/007
language
English
LU publication?
yes
id
302e5d44-77b2-4f5a-86bc-0433e7cb07af (old id 2258548)
date added to LUP
2012-02-20 20:46:57
date last changed
2016-10-13 04:32:09
@misc{302e5d44-77b2-4f5a-86bc-0433e7cb07af,
  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.},
  author       = {Jönsson, Per},
  issn         = {0281-1847},
  language     = {eng},
  number       = {6},
  pages        = {678--687},
  publisher    = {ARRAY(0xc934ff8)},
  series       = {Physica Scripta. Topical Issues},
  title        = {Multi-configuration Hartree and Dirac-fock Calculations of Atomic Hyperfine Structures},
  url          = {http://dx.doi.org/10.1088/0031-8949/48/6/007},
  volume       = {48},
  year         = {1993},
}