Literature DB >> 15740362

Matching-pursuit/split-operator-Fourier-transform computations of thermal correlation functions.

Xin Chen1, Yinghua Wu, Victor S Batista.   

Abstract

A rigorous and practical methodology for evaluating thermal-equilibrium density matrices, finite-temperature time-dependent expectation values, and time-correlation functions is described. The method involves an extension of the matching-pursuit/split-operator-Fourier-transform method to the solution of the Bloch equation via imaginary-time propagation of the density matrix and the evaluation of Heisenberg time-evolution operators through real-time propagation in dynamically adaptive coherent-state representations.

Year:  2005        PMID: 15740362     DOI: 10.1063/1.1848513

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  An optimized semiclassical approximation for vibrational response functions.

Authors:  Mallory Gerace; Roger F Loring
Journal:  J Chem Phys       Date:  2013-03-28       Impact factor: 3.488

2.  Two-dimensional spectroscopy of coupled vibrations with the optimized mean-trajectory approximation.

Authors:  Mallory Gerace; Roger F Loring
Journal:  J Phys Chem B       Date:  2013-08-07       Impact factor: 2.991

  2 in total

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