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

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

doi:10.1063/1.438390

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

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

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

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 language	English (US)
Pages (from-to)	991-996
Number of pages	6
Journal	The Journal of chemical physics
Volume	71
Issue number	2
DOIs	https://doi.org/10.1063/1.438390
State	Published - 1979
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.438390

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title = "Theoretical Compton profile anisotropies in molecules and solids. IV. Parallel-perpendicular anisotropies in alkali fluoride molecules",

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.",

author = "Matcha, {Robert L.} and Pettitt, {Bernard M.} and Ramirez, {B. I.} and McIntire, {William R.}",

year = "1979",

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AU - Matcha, Robert L.

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AU - Ramirez, B. I.

AU - McIntire, William R.

PY - 1979

Y1 - 1979

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AB - 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.

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

Abstract

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