Hierarchical equations of motion method applied to nonequilibrium heat transport in model molecular junctions: Transient heat current and high-order moments of the current operator

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	Hierarchical equations of motion method applied to nonequilibrium heat transport in model molecular junctions: Transient heat current and high-order moments of the current operator
	Song, Linze ; Shi, Qiang 1
刊名	PHYSICAL REVIEW B
	2017-02-21
卷号	95 期号:6
英文摘要	We present a theoretical approach to study nonequilibrium quantum heat transport in molecular junctions described by a spin-boson type model. Based on the Feynman-Vernon path integral influence functional formalism, expressions for the average value and high-order moments of the heat current operators are derived, which are further obtained directly from the auxiliary density operators (ADOs) in the hierarchical equations of motion (HEOM) method. Distribution of the heat current is then derived from the high-order moments. As the HEOM method is nonperturbative and capable of treating non-Markovian system-environment interactions, the method can be applied to various problems of nonequilibrium quantum heat transport beyond the weak coupling regime.
语种	英语
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/38255]
专题	化学研究所_分子动态与稳态结构实验室
作者单位	1.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Song, Linze,Shi, Qiang. Hierarchical equations of motion method applied to nonequilibrium heat transport in model molecular junctions: Transient heat current and high-order moments of the current operator[J]. PHYSICAL REVIEW B,2017,95(6).
APA	Song, Linze,&Shi, Qiang.(2017).Hierarchical equations of motion method applied to nonequilibrium heat transport in model molecular junctions: Transient heat current and high-order moments of the current operator.PHYSICAL REVIEW B,95(6).
MLA	Song, Linze,et al."Hierarchical equations of motion method applied to nonequilibrium heat transport in model molecular junctions: Transient heat current and high-order moments of the current operator".PHYSICAL REVIEW B 95.6(2017).