Chandran Suraj S, Wu Yanze, Teh Hung-Hsuan, Waldeck David H, Subotnik Joseph E
Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA.
Department of Chemistry, University of Pittsburgh, Pennsylvania 15260, USA.
J Chem Phys. 2022 May 7;156(17):174113. doi: 10.1063/5.0086554.
We investigate a spin-boson inspired model of electron transfer, where the diabatic coupling is given by a position-dependent phase, e. We consider both equilibrium and nonequilibrium initial conditions. We show that, for this model, all equilibrium results are completely invariant to the sign of W (to infinite order). However, the nonequilibrium results do depend on the sign of W, suggesting that photo-induced electron transfer dynamics with spin-orbit coupling can exhibit electronic spin polarization (at least for some time).
我们研究了一种受自旋 - 玻色子启发的电子转移模型，其中绝热耦合由位置依赖相位给出，即e。我们考虑了平衡和非平衡初始条件。我们表明，对于该模型，所有平衡结果对于W的符号（到无穷阶）是完全不变的。然而，非平衡结果确实依赖于W的符号，这表明具有自旋 - 轨道耦合的光诱导电子转移动力学可以表现出电子自旋极化（至少在一段时间内）。
