Dynamics of quantum dissipation systems interacting with fermion and boson grand canonical bath ensembles: Hierarchical equations of motion approach

A hierarchical equations of motion formalism for a quantum dissipation system in a grand canonical bath ensemble surrounding is constructed on the basis of the calculus-on-path-integral algorithm, together with the parametrization of arbitrary non-Markovian bath that satisfies fluctuation-dissipatio...

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Published inThe Journal of chemical physics Vol. 126; no. 13; p. 134113
Main Authors Jin, Jinshuang, Welack, Sven, Luo, JunYan, Li, Xin-Qi, Cui, Ping, Xu, Rui-Xue, Yan, YiJing
Format Journal Article
LanguageEnglish
Published United States 07.04.2007
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ISSN0021-9606
1089-7690
DOI10.1063/1.2713104

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Summary:A hierarchical equations of motion formalism for a quantum dissipation system in a grand canonical bath ensemble surrounding is constructed on the basis of the calculus-on-path-integral algorithm, together with the parametrization of arbitrary non-Markovian bath that satisfies fluctuation-dissipation theorem. The influence functionals for both the fermion or boson bath interaction are found to be of the same path integral expression as the canonical bath, assuming they all satisfy the Gaussian statistics. However, the equation of motion formalism is different due to the fluctuation-dissipation theories that are distinct and used explicitly. The implications of the present work to quantum transport through molecular wires and electron transfer in complex molecular systems are discussed.
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ISSN:0021-9606
1089-7690
DOI:10.1063/1.2713104