Abstract
AbstractThe nuclear relaxation first hyperpolarizability of a push–pull molecule was studied using the simple valence‐bond charge‐transfer model and analytical evaluation of electrical properties method. A relationship between the nuclear relaxation and electronic contributions to the first hyperpolarizability was derived, which incorporates the harmonic and anharmonic terms associated with the ground‐state potential energy. We show that the anharmonic contribution is as important as that of the harmonic contribution and it follows the trend of the electronic contribution. Copyright © 2003 John Wiley & Sons, Ltd.
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