Multi-configuration Hartree and Dirac-fock Calculations of Atomic Hyperfine Structures
(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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/2258548
- author
- Jönsson, Per LU
- organization
- publishing date
- 1993
- 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
- 2016-04-04 09:31:31
- date last changed
- 2021-01-03 10:24:40
@article{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 = {{IOP Publishing}},
series = {{Physica Scripta. Topical Issues}},
title = {{Multi-configuration Hartree and Dirac-fock Calculations of Atomic Hyperfine Structures}},
url = {{https://lup.lub.lu.se/search/files/5347567/2297327.pdf}},
doi = {{10.1088/0031-8949/48/6/007}},
volume = {{48}},
year = {{1993}},
}