Vibrational contribution to molecular polarizabilities and hyperpolarizabilities Journal Articles uri icon

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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.

publication date

  • September 15, 1980