摘要
在双原子分子轨道能级台劳展开的基础上,给出了2~n个同核原子体系的分子轨道能级的解析表达式,该式仅涉及双中心积分,对简化量子化学计算有一定价值。
On the basis of the Taylor expansion of the energy of diatomic molecule orbit, the analytic expresion for the energy of the orbit of the molecule consisting of 2 atoms has been given, in which there are, only two center integration. Thus, it is significance for the simplified calculations on quantum chemistry
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
1990年第1期1308-1312,共5页
Journal of Atomic and Molecular Physics
