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
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.
引用
收藏
页码:352 / 356
页数:5
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