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Simultaneous analytical optimization of variational parameters in Gaussian-type functions with full configuration interaction of multicomponent molecular orbital method by elimination of translational and rotational motions: application to isotopomers of the hydrogen molecule.

Authors
Type
Published Article
Journal
The Journal of chemical physics
Publication Date
Volume
128
Issue
16
Pages
164118–164118
Identifiers
DOI: 10.1063/1.2912939
PMID: 18447432
Source
Medline

Abstract

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