A general finite-field scheme for the calculation of frequency-dependent electronic-vibrational hyperpolarizabilities

被引：21

作者：

Bishop, DM ^{[1
]}

Kirtman, B

机构：

[1] Univ Ottawa, Dept Chem, Ottawa, ON K1N 6N5, Canada

[2] Univ Calif Santa Barbara, Dept Chem, Santa Barbara, CA 93106 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1998年 / 109卷 / 22期

关键词：

D O I：

10.1063/1.477636

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A rigorous and transparent treatment for determining electronic-vibrational hyperpolarizabilities in the context of the finite-field method is developed. Our emphasis is on the vibrational contributions. The new formulation is more general than previous ones in that it yields properties over the entire frequency range. (C) 1998 American Institute of Physics. [S0021-9606(98)70146-1].

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收藏

页码：9674 / 9676

页数：3

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