✦ LIBER ✦

Theoretical development of a Gaussian potential function in the description of the radial portion of isotropic bending vibrations

✍ Scribed by S. G. Lieb; W. L. Perry; J. W. Bevan

Publisher: John Wiley and Sons
Year: 1984
Tongue: English
Weight: 462 KB
Volume: 5
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540050202

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✦ Synopsis

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 firstand higher-order perturbation corrections are consistent with variational principles.

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