Malmö University Publications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Weak correlation and strong relativistic effects on the hyperfine interaction in fluorine
USTHB, Lab Elect Quant, Fac Phys, BP 32, Algiers, Algeria..
USTHB, Lab Elect Quant, Fac Phys, BP 32, Algiers, Algeria..
Univ Libre Bruxelles, Spect Quantum Chem & Atmospher Remote Sensing, CP 160-09, B-1050 Brussels, Belgium..
Malmö University, Faculty of Technology and Society (TS), Department of Materials Science and Applied Mathematics (MTM).ORCID iD: 0000-0001-6818-9637
2021 (English)In: Physical Review A: covering atomic, molecular, and optical physics and quantum information, ISSN 2469-9926, E-ISSN 2469-9934, Vol. 104, no 6, article id 062813Article in journal (Refereed) Published
Abstract [en]

In previous work devoted to ab initio calculations of hyperfine-structure constants in nitrogen and fluorine atoms, we observed sizable 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 levels belonging to the spectroscopic terms 2p(4)(P-3)3d(2,4)(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. The Breit-Pauli analysis of the hyperfine matrix elements nails cases with large cancellation, either between LS pairs for individual hyperfine operators or between the orbital and the spin dipole contributions. Multiconfiguration Dirac-Hartree-Fock calculations are performed to support the Breit-Pauli analysis.

Place, publisher, year, edition, pages
American Physical Society, 2021. Vol. 104, no 6, article id 062813
National Category
Atom and Molecular Physics and Optics
Identifiers
URN: urn:nbn:se:mau:diva-49196DOI: 10.1103/PhysRevA.104.062813ISI: 000735250900005Scopus ID: 2-s2.0-85122214324OAI: oai:DiVA.org:mau-49196DiVA, id: diva2:1626077
Available from: 2022-01-10 Created: 2022-01-10 Last updated: 2024-02-05Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textScopus

Authority records

Jönsson, Per

Search in DiVA

By author/editor
Jönsson, Per
By organisation
Department of Materials Science and Applied Mathematics (MTM)
In the same journal
Physical Review A: covering atomic, molecular, and optical physics and quantum information
Atom and Molecular Physics and Optics

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 41 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf