摘要
基态Ｈ_２~－（Ｘ~2_U~＋）的ＡＣＱＭ计算俞华根（中国科学院，成都有机所，６１００６５）关键词：排列通道量子力学，通道波函数，１９７７年，Ｌｅｖｉｎ和Ｋｒｇｅｒ￣［１］首次将排列通道量子力学（ＡＣＱＭ）方法用于计算和Ｈ＿２基态势能曲线后，经改进的ＡＣ?..
The potential cnergy curve of ground-state has been calculated by using an arrangement channel quantum mechanical(ACQM )method,The obtained equilibrium distance anddissociation energy are 1.70a.u. and 1.502eV,respectively,which are in good agreement withthe complex SCF results reported by Mecurdy and Mowrey￣[7].As a result,the restrieted conditionsof channel wavefunctions have been emphasized.
出处
《化学研究与应用》
CAS
CSCD
1994年第4期44-46,共3页
Chemical Research and Application
关键词
排列通道
量子力学
氢气
基态势能曲线
Arrangement Channel Quantum Mechanies, Channel Wavefunction,
