Theoretical Compton profile anisotropies in molecules and solids. IV. Parallel-perpendicular anisotropies in alkali fluoride molecules

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

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

Calculations of Compton profiles and parallel-perpendicular anisotropies in alkali fluorides are presented and analyzed in terms of molecular charge distributions and wave function character. It is found that the parallel profile associated with the valence pi orbital is the principal factor determining the relative shapes of the total profile anisotropies in the low momentum region.

Original languageEnglish (US)
Pages (from-to)991-996
Number of pages6
JournalThe Journal of Chemical Physics
Volume71
Issue number2
StatePublished - 1979
Externally publishedYes

Fingerprint

Alkalies
Fluorides
fluorides
alkalies
Anisotropy
anisotropy
Molecules
Charge distribution
Wave functions
profiles
Distribution functions
molecules
Momentum
charge distribution
distribution functions
wave functions
valence
momentum
orbitals

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Theoretical Compton profile anisotropies in molecules and solids. IV. Parallel-perpendicular anisotropies in alkali fluoride molecules. / Matcha, Robert L.; Pettitt, Bernard; Ramirez, B. I.; McIntire, William R.

In: The Journal of Chemical Physics, Vol. 71, No. 2, 1979, p. 991-996.

Research output: Contribution to journalArticle

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