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Nuclear Physics A

Fermionic molecular dynamics: Ensembles and fluctuations therein

Hans Feldmeier, Jürgen Schnack

Published Feb 1, 1995• 17 citations
Publisher
DOI
10.1016/0375-9474(94)00684-f

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•Dec 6, 2006•0 citations
An exact 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-Markovin 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 are 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.