Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.
J Chem Phys. 2009 Dec 7;131(21):214111. doi: 10.1063/1.3268922.
We propose a nonperturbative quantum dissipation theory, in term of hierarchical quantum master equation, which may be used with a great degree of confidence to various dynamics systems in condensed phases. The theoretical development is rooted in an improved semiclassical treatment of Drude bath, beyond the conventional high temperature approximations. It leads to the new theory a simple but important improvement over the conventional stochastic Liouville equation theory, without extra numerical cost. Its broad range of validity and applicability is extensively demonstrated with two-level electron transfer model systems, where the new theory can be considered as the modified Zusman equation. Criterion is also proposed to estimate the performance of the hierarchical quantum master equation.
我们提出了一种非微扰量子耗散理论，以层次量子主方程的形式呈现，可以高度置信地应用于凝聚相中的各种动力学系统。理论发展源于对德劳德浴的改进半经典处理，超越了传统的高温近似。这使得新理论在不增加额外数值成本的情况下，对传统的随机刘维尔方程理论进行了简单但重要的改进。通过双能级电子转移模型系统，广泛展示了其广泛的有效性和适用性，在该模型系统中，新理论可以被视为修正的 Zusman 方程。还提出了一个准则来估计层次量子主方程的性能。
