Electronic structure and bonding in ThO2 and UO2

V. A. Gubanov*, A. Rosén, D. E. Ellis

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

53 Scopus citations

Abstract

Electron energy levels and charge densities for ThO2 and UO2 are calculated in a molecular cluster approximation, using spin unrestricted Hartree-Fock-Slater and relativistic Dirac-Slater models. Results compare favorably with X-ray photoelectron spectra and reveal similarities in chemical bonding with rare earth oxides.

Original languageEnglish (US)
Pages (from-to)219-223
Number of pages5
JournalSolid State Communications
Volume22
Issue number4
DOIs
StatePublished - Apr 1977

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry

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