低激发态双原子分子的势能函数

The Potentials of Low-Lying Excited State Diatomic Molecules

对比分析了双原子分子的势能函数,发现用PG—高斯势函数表述低激发态双原子分子是一种可能的选择。按照微观过程原理和本文提出的“激发态选择规则”,可确定低激发态的离解极限与离解能,并导出63个激发态的PG—高斯势函数。

From, an extensive research work on the published potentential function for diatomics, it is found that the pseudogaussian Function, so-called PG function, is one of the possible choices to describe the low-lying excited states of diatomic molecules. Based on the Microscopic Process Principle developed in before and 'the selection rule for excited state' proposed in the present paper, the dissociation limit and dissociation energy could be determined, by which 63 of PG potentials for the low-lying excited states have been derived.