Vibrational contribution to molecular polarizabilities and hyperpolarizabilities
- 15 September 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 73 (6), 2899-2901
- https://doi.org/10.1063/1.440460
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.Keywords
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