Moment‐polarized relativistic potentials

Donald E Ellis*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

Exchange potentials are considered in a Dirac‐Slater local density approximation, with the aim of simultaneously treating orbital polarization and relativistic effects in open‐shell systems. A simple moment‐polarized scheme analogous to the spin‐unrestricted nonrelativistic theory is developed, and illustrated by application to diatomic FeO.

Original languageEnglish (US)
Pages (from-to)201-205
Number of pages5
JournalInternational Journal of Quantum Chemistry
Volume12
Issue number11 S
DOIs
StatePublished - Jan 1 1977

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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