Quantum time correlation functions from complex time Monte Carlo simulations: A maximum entropy approach

Goran Krilov, Eunji Sim, B. J. Berne

Research output: Contribution to journalArticle

43 Citations (Scopus)

Abstract

Monte Carlo simulations were combined with the maximum entropy numerical analytic continuation techniques for calculating the quantum time correlation functions. Real-time correlation functions were found to be suitable for the Monte Carlo methods as they were obtained by numerically inverting the data. Symmetrized time correlation functions were introduced to make the operation more stable. The methods were tested for one-dimensional nondissipiative systems and systems interacting in a dissipiative environment.

Original languageEnglish
Pages (from-to)1075-1088
Number of pages14
JournalJournal of Chemical Physics
Volume114
Issue number3
DOIs
Publication statusPublished - 2001 Jan 1

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Entropy
entropy
simulation
Monte Carlo method
Monte Carlo methods
Monte Carlo simulation

All Science Journal Classification (ASJC) codes

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

Cite this

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Quantum time correlation functions from complex time Monte Carlo simulations : A maximum entropy approach. / Krilov, Goran; Sim, Eunji; Berne, B. J.

In: Journal of Chemical Physics, Vol. 114, No. 3, 01.01.2001, p. 1075-1088.

Research output: Contribution to journalArticle

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