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

doi:10.1063/1.437170

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 journal › Article › peer-review

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 p_z ≤ 0.5.

Original language	English (US)
Pages (from-to)	558-564
Number of pages	7
Journal	The Journal of chemical physics
Volume	70
Issue number	1
DOIs	https://doi.org/10.1063/1.437170
State	Published - 1979
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.437170

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title = "Theoretical Compton profile anisotropies in molecules and solids. V. Lithium and sodium bromide diatomics",

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.",

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

year = "1979",

doi = "10.1063/1.437170",

language = "English (US)",

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pages = "558--564",

journal = "The Journal of chemical physics",

issn = "0021-9606",

publisher = "American Institute of Physics Publising LLC",

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AU - Matcha, Robert L.

AU - Pettitt, Bernard M.

AU - Ramirez, B. I.

AU - McIntire, William R.

PY - 1979

Y1 - 1979

N2 - 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.

AB - 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.

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AN - SCOPUS:36749104947

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JO - The Journal of chemical physics

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

Abstract

ASJC Scopus subject areas

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