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Vibrational contribution to molecular...
Journal article

Vibrational contribution to molecular polarizabilities and hyperpolarizabilities

Abstract

The vibrational averaging theory of Kern and Matcha is extended, at the harmonic level of approximation, to the case where the molecular property under investigation can itself lead indirectly to a perturbation of the vibrational levels of the molecule. It is found that contributions arising from this perturbation can be significant, especially for molecular hyperpolarizabilities.

Authors

Pandey PKK; Santry DP

Journal

The Journal of Chemical Physics, Vol. 73, No. 6, pp. 2899–2901

Publisher

AIP Publishing

Publication Date

September 15, 1980

DOI

10.1063/1.440460

ISSN

0021-9606