期刊
JOURNAL OF CHEMICAL PHYSICS
卷 137, 期 19, 页码 -出版社
AIP Publishing
DOI: 10.1063/1.4766358
关键词
-
资金
- NSFC [91027015]
- 973 program [2011CB808502]
- Chinese Academy of Sciences
The hierarchical equations of motion (HEOM) method has recently been widely applied to many problems of quantum dynamics in condensed phase. It is now well known that the auxiliary density operators (ADOs) in the HEOM formalism contain system-bath correlations that are important in calculating various dynamical properties, yet quantitative relations to explicitly calculate such correlations from the ADOs are still scarce. This paper extends a previous study [Q. Shi et al., J. Chem. Phys. 130, 164518 (2009)] in investigating the physical meaning of ADOs to general spectral densities and lower temperature cases. Using the path-integral technique, we derive exact relations between the expectation values of the collective bath coordinate and the ADOs, which could be very useful in investigating the correlated system-bath dynamics directly with the HEOM formalism. Numerical examples concerning the evolution of the expectation values of the collective bath coordinate are also presented. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4766358]
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据