Theoretical Compton profile anisotropies in molecules and solids. V. Lithium and sodium bromide diatomics

Robert L. Matcha, Bernard M. Pettitt, B. I. Ramirez, William R. McIntire

Research output: Contribution to journalArticle

7 Scopus citations

Abstract

Anisotropies associated with momentum distributions along vectors parallel and perpendicular to bond axes in alkali bromide molecules are computed and analyzed. An attempt is made to relate these to charge cloud deformations accompanying molecular formation. Our analysis indicates that the parallel profile associated with the valence pi orbital is the dominating factor determining the relative shapes of the total profile anisotropies in the low momenta regions pz ≤ 0.5.

Original languageEnglish (US)
Pages (from-to)558-564
Number of pages7
JournalThe Journal of Chemical Physics
Volume70
Issue number1
DOIs
StatePublished - Jan 1 1979
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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