Theoretical study of the potential energy surface and the highly excited rovibra-tional spectroscopy of H_2S molecule

作     者：XIE Junkai & YAN GuosenDepartment of Chemistry, Sichuan Normal University, Chengdu 610066, China Department of Chemistry, Sichuan University, Chengdu 610064, China 

作者机构：Department of Chemistry Sichuan Normal University Chengdu China Department of Chemistry Sichuan University Chengdu China 

出 版 物：《Chinese Science Bulletin》 (中国科学通报)

年 卷 期：2001年第46卷第8期

页      面：650-652页

核心收录：

学科分类：07[理学] 070203[理学-原子与分子物理] 0702[理学-物理学] 

基　　金：the Royal Societyfor the joint projects of China and United Kingdom  and by the Sichuan Provincial Science Foundation for Youths 

主　　题：potential energy surface local mode vibration state non- Born Oppenheimer effect. 

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.