Low-temperature correlation functions via forward-backward quantum dynamics

Jonathan Chen, Nancy Makri

Research output: Contribution to journalArticle

Abstract

We present an extension of forward-backward quantum dynamics suitable for evaluating finite-temperature time correlation functions for one-dimensional systems at low temperatures. The procedure relies on the cooling action of the Boltzmann operator, which produces a state similar to the lowest energy eigenstate with the given symmetry. As we have shown earlier, the quantum trajectories of near-eigenstates can be integrated by a numerical procedure based on a generalization of Hamilton's principle of stationary action. Evaluation of the trace may be performed in a generic basis set, obviating the need to calculate eigenstates. Numerical applications illustrate the method.

Original languageEnglish (US)
Pages (from-to)15-19
Number of pages5
JournalChemical Physics
Volume370
Issue number1-3
DOIs
StatePublished - May 12 2010

Keywords

  • Correlation functions
  • Forward-backward quantum dynamics
  • Quantum trajectories

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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