Optimal Energy Estimation in Path-Integral Monte Carlo Simulations

Physics – Condensed Matter

Scientific paper

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45 pp. LaTeX, 22 Postscript Figures

Scientific paper

10.1063/1.474309

We investigate the properties of two standard energy estimators used in path-integral Monte Carlo simulations. By disentangling the variance of the estimators and their autocorrelation times we analyse the dependence of the performance on the update algorithm and present a detailed comparison of refined update schemes such as multigrid and staging techniques. We show that a proper combination of the two estimators leads to a further reduction of the statistical error of the estimated energy with respect to the better of the two without extra cost.

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