Shi Qiang, Chen Liping, Nan Guangjun, Xu Rui-Xue, Yan Yijing
Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Zhongguancun, Beijing 100190, China.
J Chem Phys. 2009 Feb 28;130(8):084105. doi: 10.1063/1.3077918.
We propose an efficient method to propagate the hierarchical quantum master equations based on a reformulation of the original formalism and the incorporation of a filtering algorithm that automatically truncates the hierarchy with a preselected tolerance. The new method is applied to calculate electron transfer dynamics in a spin-boson model and the absorption spectra of an excitonic dimmer. The proposed method significantly reduces the number of auxiliary density operators used in the hierarchical equation approach and thus provides an efficient way capable of studying real time dynamics of non-Markovian quantum dissipative systems in strong system-bath coupling and low temperature regimes.
我们提出了一种有效的方法，基于对原始形式主义的重新表述以及纳入一种滤波算法来传播分层量子主方程，该滤波算法能以预先选定的容差自动截断层级。新方法被应用于计算自旋 - 玻色子模型中的电子转移动力学以及激子二聚体的吸收光谱。所提出的方法显著减少了分层方程方法中使用的辅助密度算符的数量，从而提供了一种能够在强系统 - 浴耦合和低温 regime 下研究非马尔可夫量子耗散系统实时动力学的有效途径。
