Quantum dynamics of electron transfer (ET) between redox pairs at finite temperature is described using an approach based on Thermo-Field Dynamics theory. This formulation treats temperature effects in the Hilbert space without introducing the Liouville space. The solution of Thermo-Field Dynamics equations with a novel technique for the propagation of Tensor Trains is implemented and discussed. The methodology is applied to the study of the electron-transfer process between the cofactors in the bacterial reaction center, and the results are compared with the second order cumulant approach, showing that the latter can reproduce both short- and long-time dynamics of the electron-transfer process.

使用基于热场动力学理论的方法描述了在有限温度下氧化还原对之间电子转移（ET）的量子动力学。该公式可在不引入Liouville空间的情况下处理希尔伯特空间中的温度效应。实施和讨论了用张量列车传播的新技术解决热场动力学方程的问题。该方法用于研究细菌反应中心辅因子之间的电子转移过程，并将结果与​​二阶累积量方法进行比较，表明该方法可以重现细菌的短期和长期动力学。电子转移过程。