应用DPR方法(the discrete position representation method)编程计算了双原子分子Li2三种低电子态和LaF分子基态的振转能级以及非绝热近似下K2分子在不同电子束缚态之间发生振转跃迁的Franck-Condon因子.计算结果与现有的文献值符合得很好,相对误差均小于1%,可以为双原子分子振转光谱的实验研究提供参考数据,计算程序可以推广应用到其它双原子分子以及多维量子系统的数值计算中.
参考文献
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