电子振动耦合电子转移反应模型的精确本征能量
Exact eigenenergies of a model of vibronically coupled electron transfer reactions.
作者信息
Lu Yangyi, Zhong Dongping
机构信息
Department of Physics, Department of Chemistry and Biochemistry, Programs of Biophysics, Chemical Physics, and Biochemistry, The Ohio State University, Columbus, Ohio 43210, United States.
Center for Ultrafast Science and Technology, School of Chemistry and Chemical Engineering, School of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240, China.
出版信息
Chem Phys. 2021 Aug 1;548. doi: 10.1016/j.chemphys.2021.111224. Epub 2021 Apr 27.
We present the first exact solution to the time-independent Schrödinger equation of a model Hamiltonian consisting of a vibrational mode coupled to three electronic states. This Hamiltonian serves as a generic model for photo-induced electronic transfer reactions. The solution is non-perturbative and can be applied to ET reactions with weak and strong electronic and vibrational coupling strengths. This work suggests a new direction towards understanding the vibronic effects in ET dynamics beyond the non-adiabatic limit and Condon approximation.
我们给出了一个模型哈密顿量的与时间无关的薛定谔方程的首个精确解，该哈密顿量由一个与三个电子态耦合的振动模式组成。这个哈密顿量作为光致电子转移反应的一个通用模型。该解是非微扰的，可应用于具有弱和强电子及振动耦合强度的电子转移反应。这项工作为理解非绝热极限和康登近似之外的电子转移动力学中的电子振动效应指明了一个新方向。
Zotero 插件