核运动对电子跃迁几率的影响

The Effect of Nuclear Motions on Electronic Transition Propability

用量子力学方法，导出了微小核运动对电子跃迁几率的影响。考虑到这种影响，讨论了几个分子的电子跃迁能的理论计算。结果表明，核运动到最大位移处时，电子跃迁的几率最大．在最大位移处进行垂直跃迁能计算，结果与实验值吻合得很好。此外，结合Ｆｒａｎｃｋ－Ｃｏｎｄｏｎ原理．可对振电光谱的强度分布进行预测．

Abstract The effect of infinitesimal nuclear motions on electronic transition propability has been shown with quantum mechanical method. Consideration of the effect, electronic transition energies for several molecules have been estimated. Results suggest that there arc the most possible transitions at positions corresponding to the maximal variation of nuclear motions for a particular vibrational mode, and transition energies calculated at the positions, arc good agreement with experiment. In addtion, combining Franck-Condon principle, it is possible to predict the intensity diStribution.