The ab initio potential energy curves of two structures are investigated and fitted by a 4-term Morse-type function including a C_6R~ (-6) term, and the fit parameters are given. 本文还给出了这两种结构的势能曲线,并且用含四项Morse函数和一项C6R-6的势能函数进行曲线拟合,给出了相应的拟合参数。
The vibration-rotational eigen-problem for diatomic molecules under the improved Morse potential energy function 双原子分子在改进的Morse势下的振动一转动问题
Pure vibrational and vibrational-rotational energy levels as well as Frank-Condon factors of CO molecule are computed by both finite difference method and spherical Bessel function expansion method respectively, using Morse potential function as potential model function. 并选用Morse势函数为模型势函数,分别利用有限差分法和球贝塞尔函数展开法计算出了双原子分子CO的纯振动、振-转能级能量本征值和波函数以及Frank-Condon因子。