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arxiv: 1609.02703 · v1 · pith:TGW76DR2new · submitted 2016-09-09 · ⚛️ physics.comp-ph · physics.data-an

Confidence and efficiency scaling in Variational Quantum Monte Carlo calculations

classification ⚛️ physics.comp-ph physics.data-an
keywords calculationscarlomonteefficiencyscalingvariationalcentralconfidence
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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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