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arXiv:1109.4429 · Chemical Physics

Recursive formulation of the multiconfigurational time-dependent Hartree method for fermions, bosons and mixtures thereof in terms of one-body density operators

Ofir E. Alon, Alexej I. Streltsov, Kaspar Sakmann, Axel U. J. Lode, Julian Grond, L. S. Cederbaum

Published Oct 15, 2011• 33 citations
arXivHTMLPDF
DOI
10.1016/j.chemphys.2011.09.026

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We specify the formally exact multiconfigurational time-dependent Hartree method originally developed for systems of distinguishable degrees of freedom to mixtures consisting of two types of identical particles. All three cases, Fermi-Fermi, Bose-Bose, and Bose-Fermi mixtures, are treated on an equal footing making explicit use of the reduced one- and two-body density matrices of the mixture. The theory naturally contains as specific cases the versions of the multiconfigurational time-dependent Hartree method for single-species fermions and bosons. Explicit and compact equations of motion are derived and their properties and usage are briefly discussed.
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