A new exact quantum mechanical rovibrational kinetic energy operator for penta-atomic systems in internal coordinates

被引：0
作者：
Guangju Chen
Yuxue Li
机构：
[1] Beijing Normal University,Department of Chemistry
来源：
Science in China Series B: Chemistry | 1999年 / 42卷
关键词：
penta-atomic systems; rovibrational kinetic energy operator; internal coodinates;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The concrete molecule-fixed (MF) kinetic energy operator for penta-atomic molecules is expressed in terms of the parameter δ, the matrix element Gij, and angular momentum operatorj. The applications of the operator are also discussed. Finally, a general compact form of kinetic energy operator suitable for calculating the rovibrational spectra of polyatomic molecules is presented.
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页码：552 / 560
页数：8
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