Theoretical study of the potential energy surface and the highly excited rovibra-tional spectroscopy of H2S molecule

被引：0
|
作者：
XIE Junkai & YAN GuosenDepartment of Chemistry
Department of Chemistry
机构：
来源：
ChineseScienceBulletin | 2001年 / 08期
关键词：
potential energy surface; local mode vibration state; non- Born Oppenheimer effect;
D O I：
暂无
中图分类号：
O561.3 [分子光谱];
学科分类号：
070203 ; 1406 ;
摘要：
This note reports the potential energy surface of H2S that has been refined by using SCF-CI approach and the high-resolution experimental data. The calculated splitting values of the local mode vibration states pair close to observed values. This vibration state calculation has shown that there are no obvious non-Born Oppenheimer effects occurring in the lower vibration states of the system.
引用
收藏
页码：650 / 652
页数：3
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