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
Extraction of shape-consistent spin-orbit pseudopotential from an effective spin-orbit parameter and application to the tellurium atom
Stockholm University, Faculty of Science, Department of Physics.
2006 (English)In: International Journal of Quantum Chemistry, ISSN 0020-7608, E-ISSN 1097-461X, Vol. 106, no 3, 764-771 p.Article in journal (Refereed) Published
Abstract [en]

A hybrid procedure to extract spin-orbit pseudo-potentials is proposed, taking information from both the orbital shape in the valence region and the atomic spin-orbit splitting. An effective atomic spin-orbit parameter is derived from a Dirac–Coulomb–Fock reference atomic calculation and is then used to extract the spin-orbit pseudo-potential. This method is tested for the ground-state configuration (5s25p4) of the tellurium atom.

Place, publisher, year, edition, pages
Wiley Periodicals , 2006. Vol. 106, no 3, 764-771 p.
Keyword [en]
spin-orbit coupling;pseudo-potential theory;shape-consistent extraction procedure;energy-consistent extraction procedure;tellurium
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:su:diva-23949DOI: 10.1002/qua.20840OAI: oai:DiVA.org:su-23949DiVA: diva2:196080
Note
Part of urn:nbn:se:su:diva-614Available from: 2005-08-18 Created: 2005-08-18 Last updated: 2011-01-18Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text
By organisation
Department of Physics
In the same journal
International Journal of Quantum Chemistry
Theoretical Chemistry

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 40 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