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A multipole acceptability criterion for electronic structure theory.

Authors :
Schwegler, Eric
Challacombe, Matt
Source :
Journal of Chemical Physics. 11/22/1998, Vol. 109 Issue 20, p8764. 6p. 2 Diagrams, 5 Charts, 4 Graphs.
Publication Year :
1998

Abstract

Focuses on a nonempirical multipole acceptability criterion for electronic structure theory. Applicability of the criterion to higher order moments; Presentation of several model calculations of electronic structure theory; Accuracy increase in cases involving small translation distances.

Details

Language :
English
ISSN :
00219606
Volume :
109
Issue :
20
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
4123076
Full Text :
https://doi.org/10.1063/1.477546