一种从双原子分子光谱常数得到势能函数的新方法

A New Method to Get the Potential Energy Function of the Diatomic Molecules from the Spectroscopic Constants

基于Xie(2005)等3参数模型势的基础上从另一个侧面研究了双原子体系,提出了一个新的方法来处理双原子分子光谱的常数并进而得到势能函数,并研究了多个双原子体系,包括NaK,LiH,LiH+,NeH,H2+.结论显示给出的这种研究方法更简单高效,结果和实验值吻合较好.

Based on a simple three-parameter model potential for diatomie systems, a new method is proposed to calculate the parameter. Some diatomie systems have been studied, the results demonstrate that the method is accurate, efficient and easy.