Huaxue jinzhan

Hierarchical Equations of Motion for Quantum Dissipation and Quantum Transport

Zheng Xiao, Rui‐Xue Xu, Jian Xu, Jinshuang Jin, Jie Hu, YiJing Yan

Published Jun 24, 2012• 41 citations

Abstract

In this review we give a comprehensive account of a hierarchical equations of motion (HEOM) approach to the characterization of stationary and dynamic properties of open quantum systems. This approach is rooted at the Feynman-Vernon influence functional path integral formalism, but much more implementable numerically and operationally for the study of various complex molecular dynamics and quantum transport in strongly correlated electronic systems. By construction, HEOM resolves nonperturbatively the combined effects of many-particle interaction, system-bath coupling,and non-Markovian memory. Finally the practicality of HEOM to address physical and chemical problems is exemplified with a model simulation of coherent two-dimensional spectroscopy signals of a biological light-harvesting system and a time-dependent quantum transport system involving dynamic Kondo transition.級聯方程已成為研究量子開放系統的穩態性質和動力學過程的重要方法。本文旨在系統綜述量子耗散和量子輸運的級聯方程組方法的建立、發展以及在理論、算法和應用方面的一些最新進展。級聯方程形式理論的建立以影響泛函路徑積分為基礎,并具有數值上的高效性和應用上的靈活性,可用于研究分子體系的復雜動力學過程以及強關聯電子體系中的量子輸運。其級聯耦合結構以非微擾的方式揭示了多體相互作用、體系-環境耦合、非馬爾可夫記憶等的綜合效應。作為應用示例,我們采用級聯方程模擬了生物光富集體系的二維相干動力學光譜以及含時電子輸運過程中的動態近藤效應。

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