量子耗散与量子输运的级联方程组方法(英文)  

Hierarchical Equations of Motion for Quantum Dissipation and Quantum Transport

作　　者：郑晓[1] 徐瑞雪[1] 许健[2] 金锦双[3] 胡洁[2,4] 严以京[1,2] 

机构地区：[1]中国科学技术大学合肥微尺度物质科学国家实验室(筹),合肥230026 [2]香港科技大学化学系 香港 [3]杭州师范大学物理系,杭州310036 [4]首都师范大学物理系,北京100048

出　　处：《化学进展》2012年第6期1129-1152,共24页Progress in Chemistry

基　　金：supprt from National Science Foundation of China (Nos.21033008,21073169,21103157);National Basic Research Program of China(No.2010CB923300 and No.2011CB921400);Fundamental Research Funds for the Central Universities of China (No.2340000034);Innovation Funds for Young Researchers of USTC(No.2340000025);Hong Kong UGC(No.AoE/P-04/08-2)

摘　　要：级联方程已成为研究量子开放系统的稳态性质和动力学过程的重要方法。本文旨在系统综述量子耗散和量子输运的级联方程组方法的建立、发展以及在理论、算法和应用方面的一些最新进展。级联方程形式理论的建立以影响泛函路径积分为基础,并具有数值上的高效性和应用上的灵活性,可用于研究分子体系的复杂动力学过程以及强关联电子体系中的量子输运。其级联耦合结构以非微扰的方式揭示了多体相互作用、体系-环境耦合、非马尔可夫记忆等的综合效应。作为应用示例,我们采用级联方程模拟了生物光富集体系的二维相干动力学光谱以及含时电子输运过程中的动态近藤效应。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.

关 键 词：量子耗散 量子输运 开放体系 级联方程组 

分 类 号：O641.12[理学—物理化学]