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Hierarchical theory of quantum dissipation: Partial fraction decomposition scheme

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 Added by Ruixue Xu
 Publication date 2009
  fields Physics
and research's language is English




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We propose a partial fraction decomposition scheme to the construction of hierarchical equations of motion theory for bosonic quantum dissipation systems. The expansion of Bose--Einstein function in this scheme shows similar properties as it applies for Fermi function. The performance of the resulting quantum dissipation theory is exemplified with spin--boson systems. In all cases we have tested the new theory performs much better, about an order of magnitude faster, than the best available conventional theory based on Matsubara spectral decomposition scheme.



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We propose a nonperturbative quantum dissipation theory, in term of hierarchical quantum master equation. It may be used with a great degree of confidence to various dynamics systems in condensed phases. The theoretical development is rooted in an improved semiclassical treatment of Drude bath, beyond the conventional high temperature approximations. It leads to the new theory a simple modification but important improvement over the conventional stochastic Liouville equation theory, without extra numerical cost. Its broad range of validity and applicability is extensively demonstrated with two--level electron transfer model systems, where the new theory can be considered as the modified Zusman equation. We also present a criterion, which depends only on the system--bath coupling strength, characteristic bath memory time, and temperature, to estimate the performance of the hierarchical quantum master equation.
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A nonperturbative theory is developed, aiming at an exact and efficient evaluation of a general quantum system interacting with arbitrary bath environment at any temperature and in the presence of arbitrary time-dependent external fields. An exact hierarchical equations of motion formalism is constructed on the basis of calculus-on-path-integral algorithm, via the auxiliary influence generating functionals related to the interaction bath correlation functions in a parametrization expansion form. The corresponding continued-fraction Greens functions formalism for quantum dissipation is also presented. Proposed further is the principle of residue correction, not just for truncating the infinite hierarchy, but also for incorporating the small residue dissipation that may arise from the practical difference between the true and the parametrized bath correlation functions. The final residue-corrected hierarchical equations of motion can therefore be used practically for the evaluation of arbitrary dissipative quantum systems.
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