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

Title
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
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 128, Issue 16, Pages 164118
Publisher
AIP Publishing
Online
2008-05-01
DOI
10.1063/1.2912939

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