ISSN:
0192-8651
Keywords:
Computational Chemistry and Molecular Modeling
;
Biochemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Computer Science
Notes:
Analysis of a Gaussian potential function suitable for modeling degenerate bending vibrations in weakly bound molecular complexes is presented. Approximate eigenvalues and eigenvectors are obtained by application of perturbation theory. Comparison to the “exact” eigenvalues obtained via a numerical solution shows that the first- and higher-order perturbation corrections are consistent with variational principles.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/jcc.540050202
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