The vibration-rotation kinetic energy operator for sequentially bonded tetra-atomic molecules in internal coordinates

被引：4

作者：

Ebrahimi, H. ^{[1
]}

Tafazzoli, M. ^{[1
]}

机构：

[1] Sharif Univ Technol, Dept Chem, Tehran, Iran

来源：

MOLECULAR PHYSICS | 2007年 / 105卷 / 17-18期

关键词：

vibration-rotation coupling; tetra-atomic molecules; internal coordinates;

D O I：

10.1080/00268970701551880

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：

An exact vibration-rotation kinetic energy operator for polyatomic molecules has been obtained. Using this Hamiltonian for sequentially bonded tetra-atomic molecules, all rovibrational terms have been derived with internal coordinates as the vibrational variables. The present approach is greatly simplified with less algebra compared with conventional methods. Also, simple and explicit expressions for the vibration-rotation coupling terms in internal coordinates are presented.

引用

页码：2269 / 2278

页数：10

共 51 条

[1] QUANTUM TREATMENT OF ROTATIONALLY INELASTIC-COLLISIONS INVOLVING MOLECULES IN PI-ELECTRONIC STATES - NEW DERIVATION OF THE COUPLING POTENTIAL [J].