EXACT QUANTUM-MECHANICAL VIBRATIONAL KINETIC-ENERGY OPERATOR OF SEQUENTIALLY BONDED MOLECULES IN VALENCE INTERNAL COORDINATES

被引：42

作者：

CSASZAR, AG ^{[1
]}

HANDY, NC ^{[1
]}

机构：

[1] UNIV CAMBRIDGE, DEPT CHEM, CAMBRIDGE CB2 1EW, ENGLAND

来源：

JOURNAL OF CHEMICAL PHYSICS | 1995年 / 102卷 / 10期

关键词：

D O I：

10.1063/1.468524

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 full nonrelativistic quantum mechanical vibrational (J=0) kinetic energy operator for sequentially bonded N-atom molecules, expressed in valence stretch, bend, and torsion internal coordinates, is explicitly given. Certain properties of the operator and its possible applications are discussed. © 1995 American Institute of Physics.

引用

页码：3962 / 3967

页数：6

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