原子间近程排斥势与电荷密度重叠积分之间关系的探索

RELATIONSHIP BETWEEN INTERATOMIC SHORT RANGE REPULSIVE POTENTIALS AND INTERATOMIC CHARGE DENSITY OVERLAP INTEGRALS

本文对相同稀有气体原子间电荷密度的重叠积分进行了全面计算．计算结果表明该重叠积分可以用来表示稀有气体原子间的排斥势．

We have calculated interatomic charge density overlap integrals of all homogeneons rare gases in this paper. Results show that interatomic repulsive of the rare gas can be expressed by the overlap integrals. These provided a better way of studying short range repulsive interatomic potentials accurately.