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