差分法计算7Li2纯振动能级和振-转能级

提出了利用差分法计算双原子分子纯振动能级和振-转能级的具体方法.利用了差分法计算了7Li2的能级并且把计算的结果和Ley-Koo等人用其他方法计算的结果作了对比,指出了这种计算方法和其他计算方法不同的是不需要求出相波函数而直接求出能级值,因此这种计算方法有比较简便的优点,它可和其他计算方法配合使用更准确地求解双原子分子的振动能级问题.这种计算方法可用于准确确定双原子的解析和数值的势能函数,进一步可应用在准分子的发光等问题的研究中.

Computing the pure vibrational and vibrational-rotational energy eigenvalues of 7 Li2 by difference method

The difference method for solving pure vibrational energy level and vibration-rotational energy level is proposed in this paper. Vibratioanal and vibrational-rotatioonal energy eigenvalues of 7Li 2 were calculated by means of introducing a difference method, and the computed results were compared with the results calculated by Ley-Koo, et al. In the process of solving the vibrational energy levels, the difference method is distinguished from other methods, in which wave functions do not need finding out, and vibrational energy levels can be found directly. Therefore it has the advantage of simplicity over other methods. It can be used to accurately determine both analytical and numerical potential functions of biatomic molecules. Furthermore, it can be employed to solve radiation problems such as quasi-molecular radiation.