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Title: Extended hierarchy equation of motion for the spin-boson model

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4936924· OSTI ID:22493305
; ; ;  [1];  [2]
  1. Physics Department, Zhejiang University, 38 ZheDa Road, Hangzhou, Zhejiang 310027 (China)
  2. Department of Chemistry, University of Colorado Denver, Denver, Colorado 80217-3364 (United States)

An extended hierarchy equation of motion (HEOM) is proposed and applied to study the dynamics of the spin-boson model. In this approach, a complete set of orthonormal functions are used to expand an arbitrary bath correlation function. As a result, a complete dynamic basis set is constructed by including the system reduced density matrix and auxiliary fields composed of these expansion functions, where the extended HEOM is derived for the time derivative of each element. The reliability of the extended HEOM is demonstrated by comparison with the stochastic Hamiltonian approach under room-temperature classical ohmic and sub-ohmic noises and the multilayer multiconfiguration time-dependent Hartree theory under zero-temperature quantum ohmic noise. Upon increasing the order in the hierarchical expansion, the result obtained from the extended HOEM systematically converges to the numerically exact answer.

OSTI ID:
22493305
Journal Information:
Journal of Chemical Physics, Vol. 143, Issue 22; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
Country of Publication:
United States
Language:
English