paper

Exact open quantum system dynamics using the Hierarchy of Pure States (HOPS)

arXiv:1710.08268 · doi:10.1021/acs.jctc.7b00751

Abstract

We show that the general and numerically exact Hierarchy of Pure States method (HOPS) is very well applicable to calculate the reduced dynamics of an open quantum system. In particular we focus on environments with a sub-Ohmic spectral density (SD) resulting in an algebraic decay of the bath correlation function (BCF). The universal applicability of HOPS, reaching from weak to strong coupling for zero and non-zero temperature, is demonstrated by solving the spin-boson model for which we find perfect agreement with other methods, each one suitable for a special regime of parameters. The challenges arising in the strong coupling regime are not only reflected in the computational effort needed for the HOPS method to converge but also in the necessity for an importance sampling mechanism, accounted for by the non-linear variant of HOPS. In order to include non-zero temperature effects in the strong coupling regime we found that it is highly favorable for the HOPS method to use the zero temperature BCF and include temperature via a stochastic Hermitian contribution to the system Hamiltonian.

arXiv commentThis document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in the Journal of Chemical Theory and Computation, copyright \c{opyright} American Chemical Society after peer review. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b00751

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