Applications of the dirac‐slater model to molecules

D. E. Ellis, A. Rosén*, P. F. Walch

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

52 Scopus citations


Applications of the Dirac Slater model to obtain relativistic energy levels and wave functions for molecules are reported. Results are presented for the uranyl ion UO2+2, calculated by a discrete‐variational method using numerical free‐atom basis functions. A simple moment polarized generalization of the Slater exchange potential is proposed for treating open‐shell systems; results for a 5d atom are compared with corresponding nonrelativistic spin‐polarized states.

Original languageEnglish (US)
Pages (from-to)351-358
Number of pages8
JournalInternational Journal of Quantum Chemistry
Issue number9 S
StatePublished - Jan 1 1975

ASJC Scopus subject areas

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


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