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November 15, 1983The Journal of Chemical Physics169 citations

On the calculation of time correlation functions in quantum systems: Path integral techniquesa)

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DTDevarajan ThirumalaiBBB. J. Berne

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Abstract

A Monte Carlo method for calculating quantum mechanical time correlation functions is presented. In this method the time correlation function is calculated at several values along the pure imaginary axis of the complex time plane such that 0itβ, where (β)−1 is the temperature of the system. Using the periodicity of the imaginary time correlation function, the real time behavior is inferred by analytic continuation. The method is used to calculate the absorption spectra of two model systems.

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Cite This Study

Thirumalai et al. (1983) studied this question.

synapsesocial.com/papers/6a1feeb935281a23f90da8fchttps://doi.org/10.1063/1.445597
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