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利用级联方程方法研究了反转区的电子转移速率与电子态耦合常数以及溶剂弛豫时间的关系.结果表随着电子态间耦合强度的增加,反应速率先增加然后减小,而随着溶剂弛豫时间的减小反应速率增加.我们将这些结果与近似理论费米黄金规则、Landau-Zener公式进行了比较,由于费米金规则基于一阶微扰论,所以只适用于耦合常数较小的情况.而Landau-Zener公式假设电子在跃迁区域弹道运动,在电子态耦合大的情况下也存在问题.
The relationship between the electron transfer rate and the electronic state coupling constant and the solvent relaxation time in the inversion region was studied by using the cascade equation method. Results As the coupling strength increased, the reaction rate first increased and then decreased, We have compared these results with the Fermonic rule of approximation, the Landau-Zener formula. Since the Fermigon rule is based on first-order perturbation theory, it is only suitable for the comparison of the coupling constants However, the Landau-Zener formula assumes that electrons traverse trajectories in the transition region, which is also problematic in the case of large coupling of electronic states.