Exact quantum mechanical kinetic energy operator in valence coordinates for internal motions of a polyatomic molecule

被引：26

作者：

Makarewicz, J ^{[1
]}

Skalozub, A ^{[1
]}

机构：

[1] Adam Mickiewicz Univ, Fac Chem, PL-60780 Poznan, Poland

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 306卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(99)00466-2

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：

The exact quantum mechanical kinetic energy operator describing internal motions of a polyatomic molecule in valence internal coordinates is presented. It is written in the standard normalization convention in which it contains a small number of linear differential terms of simple and uniform structure, independent of the specific structure of the molecule. (C) 1999 Elsevier Science B.V. All rights reserved.

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页码：352 / 356

页数：5

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