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The Journal of Chemical Physics

Iterative Monte Carlo for quantum dynamics

Vikram Jadhao, Nancy Makri

Published Oct 28, 2008• 58 citations
Publisher

Abstract

We present a fully quantum mechanical methodology for calculating complex-time correlation functions by evaluating the discretized path integral expression iteratively on a grid selected by a Monte Carlo procedure. Both the grid points and the summations performed in each iteration utilize importance sampling, leading to favorable scaling with the number of particles, while the stepwise evaluation of the integrals circumvents the exponential growth of statistical error with time.

DOI
10.1063/1.3000393

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