CAS Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China, Hefei, Anhui 230026, China.
Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.
J Chem Phys. 2023 Jun 7;158(21). doi: 10.1063/5.0151239.
Dissipaton theory had been proposed as an exact, nonperturbative approach to deal with open quantum system dynamics, where the influence of the Gaussian environment is characterized by statistical quasi-particles, named dissipatons. In this work, we revisit the dissipaton equation of motion theory and establish an equivalent dissipaton-embedded quantum master equation (DQME) that gives rise to dissipatons as generalized Brownian particles. As explained in this work, the DQME supplies a direct approach to investigate the statistical characteristics of dissipatons and, thus, the physically supporting hybrid bath modes. Numerical demonstrations are carried out on the electron transfer model, exhibiting the transient statistical properties of the solvation coordinate.
耗散理论被提出作为一种精确的、非微扰的方法来处理开放量子系统动力学，其中高斯环境的影响由统计准粒子来描述，称为耗散子。在这项工作中，我们重新审视了耗散子运动方程理论，并建立了一个等效的嵌入耗散子的量子主方程（DQME），它将耗散子作为广义布朗粒子产生。正如本文所解释的，DQME 提供了一种直接的方法来研究耗散子的统计特性，从而支持混合浴模式。在电子转移模型上进行了数值演示，展示了溶剂化坐标的瞬态统计特性。
