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arXiv · 1609.02703

Confidence and efficiency scaling in Variational Quantum Monte Carlo calculations

François Delyon·Bernard Bernu·Markus Holzmann
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Abstract

Based on the central limit theorem, we discuss the problem of evaluation of the statistical error of Monte Carlo calculations using a time discretized diffusion process. We present a robust and practical method to determine the effective variance of general observables and show how to verify the equilibrium hypothesis by the Kolmogorov-Smirnov test. We then derive scaling laws of the efficiency illustrated by Variational Monte Carlo calculations on the two dimensional electron gas.

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François Delyon, Bernard Bernu, Markus Holzmann. 2016-09-09. Confidence and efficiency scaling in Variational Quantum Monte Carlo calculations. https://doi.org/10.1103/physreve.95.023307

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