EVALUATION OF VIBRATIONAL HYPERPOLARIZABILITIES

被引：71

作者：

KIRTMAN, B ^{[1
]}

BISHOP, DM ^{[1
]}

机构：

[1] UNIV OTTAWA, DEPT CHEM, OTTAWA K1N 6N5, ONTARIO, CANADA

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 175卷 / 06期

关键词：

D O I：

10.1016/0009-2614(90)85588-4

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 practical working formula is developed for calculating the dynamic (or static) vibrational hyperpolarizability, gamma-alpha-beta-gamma-delta, of an arbitrary polyatomic molecule. First-order contributions due to electrical and mechanical anharmonicity are included. Contrary to previous work, we find that the so-called "mu-4" terms vanish to the order considered.

引用

页码：601 / 607

页数：7

共 26 条

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