I_2分子振动本征函数的球贝塞尔函数展开法

Computation of Energy Levels of I_2 Molecule by Spherical Bessel Function Expansion Method

本文采用Morse势函数利用球贝塞尔函数展开法计算了双原子分子I2的振动能级。利用球型箱的边界条件把三维问题简化成一维问题,这种方法收敛快,因此有效地简化了双原子分子能级和计算,可以推广到其他双原子分子的振动能级的求解问题中。

Vabrational energy levels of diatomic molecules I2 have been computed in this paper by spherical Bessel function ex-pansion method,using Morse potential.Using spherical box boundary condition the three-dimensional problem has been re-duced into one-dimensional problem.This method has rapid convergence;therefore,it can effectively simplify computation of diatomic molecules energy levels,which can be used in solutions of vabrational energy levels of other diatomic molecules.