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Progress in Chemistry 2012, Vol. 24 Issue (06): 1129-1152 Previous Articles   Next Articles

• Special Issue of Quantum Chemistry •

Hierarchical Equations of Motion for Quantum Dissipation and Quantum Transport

Zheng Xiao1, Xu Ruixue1, Xu Jian2, Jin Jinshuang3, Hu Jie2,4, Yan Yijing1,2   

  1. 1. Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China; 1.Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026,China;
    2. Department of Chemistry,Hong Kong University of Science and Technology, Kowloon, Hong Kong;
    3. Department of Physics, Hangzhou Normal University, Hangzhou 310036, China;
    4. School of Physics, Capital normal university, Beijing 100048, China
  • Received: Revised: Online: Published:
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In this review we give a comprehensive account of a hierarchical equations of motion (HEOM) approach to the characterization ofstationary 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.

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