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Optimal Energy Estimation in Path-Integral Monte Carlo Simulations

Wolfhard Janke·Tilman Sauer
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Abstract

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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Wolfhard Janke, Tilman Sauer. 1997-10-13. Optimal Energy Estimation in Path-Integral Monte Carlo Simulations. https://doi.org/10.1063/1.474309

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