liu.seSearch for publications in DiVA
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • 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
Relativistic effects on linear and nonlinear polarizabilities studied by effective-core potential, Douglas-Kroll, and Dirac-Hartree-Fock response theory
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Computational Physics .
Theoretical Chemistry, Royal Institute of Technology, SE-100 44 Stockholm, Sweden.
Department of Chemistry, University of Tromsø, N-9037 Tromsø, Norway.
Department of Chemistry, University of Southern Denmark, DK-5230 Odense M, Denmark.
Show others and affiliations
2002 (English)In: Journal of Chemical Physics, ISSN 0021-9606, Vol. 116, no 16, 6914-6923 p.Article in journal (Refereed) Published
Abstract [en]

A systematic investigation of a hierarchy of methods for including relativistic effects in the calculation of linear and nonlinear optical properties was carried out. The simple ECP method and the more involved spin-averaged Douglas-Kroll approximation were compared to benchmark results obtained with the time-dependent Dirac-Hartree-Fock method. It was found that in many cases, the performance of the ECP method exceeds its rank.

Place, publisher, year, edition, pages
2002. Vol. 116, no 16, 6914-6923 p.
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:liu:diva-47035DOI: 10.1063/1.1463437OAI: oai:DiVA.org:liu-47035DiVA: diva2:267931
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2011-01-13

Open Access in DiVA

No full text

Other links

Publisher's full text

Authority records BETA

Norman, Patrick

Search in DiVA

By author/editor
Norman, Patrick
By organisation
The Institute of TechnologyComputational Physics
In the same journal
Journal of Chemical Physics
Engineering and Technology

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 136 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • 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