Literature DB >> 28576086

An extension of stochastic hierarchy equations of motion for the equilibrium correlation functions.

Yaling Ke1, Yi Zhao1.   

Abstract

A traditional stochastic hierarchy equations of motion method is extended into the correlated real-time and imaginary-time propagations, in this paper, for its applications in calculating the equilibrium correlation functions. The central idea is based on a combined employment of stochastic unravelling and hierarchical techniques for the temperature-dependent and temperature-free parts of the influence functional, respectively, in the path integral formalism of the open quantum systems coupled to a harmonic bath. The feasibility and validity of the proposed method are justified in the emission spectra of homodimer compared to those obtained through the deterministic hierarchy equations of motion. Besides, it is interesting to find that the complex noises generated from a small portion of real-time and imaginary-time cross terms can be safely dropped to produce the stable and accurate position and flux correlation functions in a broad parameter regime.

Entities:  

Year:  2017        PMID: 28576086      PMCID: PMC5453806          DOI: 10.1063/1.4984260

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  28 in total

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Journal:  J Chem Phys       Date:  2006-08-28       Impact factor: 3.488

5.  Solving the spin-boson model of strong dissipation with flexible random-deterministic scheme.

Authors:  Yun Zhou; Jiushu Shao
Journal:  J Chem Phys       Date:  2008-01-21       Impact factor: 3.488

6.  A hybrid stochastic hierarchy equations of motion approach to treat the low temperature dynamics of non-Markovian open quantum systems.

Authors:  Jeremy M Moix; Jianshu Cao
Journal:  J Chem Phys       Date:  2013-10-07       Impact factor: 3.488

7.  Low-temperature dynamical simulation of spin-boson systems.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1994-11-15

8.  A new approach to calculate charge carrier transport mobility in organic molecular crystals from imaginary time path integral simulations.

Authors:  Linze Song; Qiang Shi
Journal:  J Chem Phys       Date:  2015-05-07       Impact factor: 3.488

9.  Hierarchy of forward-backward stochastic Schrödinger equation.

Authors:  Yaling Ke; Yi Zhao
Journal:  J Chem Phys       Date:  2016-07-14       Impact factor: 3.488

10.  Equilibrium excited state and emission spectra of molecular aggregates from the hierarchical equations of motion approach.

Authors:  Yuanyuan Jing; Liping Chen; Shuming Bai; Qiang Shi
Journal:  J Chem Phys       Date:  2013-01-28       Impact factor: 3.488

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  1 in total

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Journal:  Nat Commun       Date:  2022-04-11       Impact factor: 17.694

  1 in total

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