VIBRATIONAL ENERGIES FOR TRIATOMIC-MOLECULES USING A SEMICLASSICAL TRAJECTORY METHOD

被引：23

作者：

COLWELL, SM

HANDY, NC

机构：

[1] Department of Theoretical Chemistry, Cambridge, CB2 1EW, Lensfield Road

来源：

MOLECULAR PHYSICS | 1978年 / 35卷 / 04期

关键词：

D O I：

10.1080/00268977800100861

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：

Previously proposed, semi-classical quantization conditions are further examined and then used to calculate low-lying vibrational energy levels of S02 and H20. Results are compared with variational quantum-mechanical results, using various realistic analytic potentials. © 1978 Taylor and Francis Group, LLC.

引用

页码：1183 / 1190

页数：8

共 17 条

[1]

BORN M, 1960, MECHANICS ATOM, P86

[2] IMPROVED POTENTIAL FUNCTIONS FOR BENT AB2 MOLECULES - WATER AND OZONE [J].