改进的双原子分子振动转动能级公式

The Modified Formula of Vibration-Rotation Energy levels for Diatomic Molecules

本文对双原子分子振动转动能级公式作出进一步改进,将改进后的能级公式用于CO分子和I_2分子的能量本征值计算,得到了相当好的结果,与实验结果相比较,相对误差小于0.08％。

In this paper the newly obtained formula of vibration-rotation energy levels for diatomic molecules is modified. Parameter λ(v, l)is introduced into the modified formula and its values can be determined through the approximate equations presented in the paper. In applying the present formula to energy level computation of molecules Co and I_2, excel lent results have been obtained, Compared with the experimental results, the relative errors are less than 0.08%.