Abstract
AbstractA theoretical study of the contributions of anharmonics to the nuclear relaxation second hyperpolarizability of π‐conjugated push–pull polyenes by using an analytical evaluation of electrical properties method and a valence‐bond–charge‐transfer model was carried out. A relationship between nuclear relaxation and electronic contributions to the second hyperpolarizability is derived. It was found that the anharmonicity is essential in a numerical estimation of nuclear relaxation second hyperpolarizability. Copyright © 2004 John Wiley & Sons, Ltd.
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