title: Calculation of space localized properties in correlated quantum Monte Carlo methods with reweighting: the nonlocality of statistical uncertainties.
abstract: We study the efficiency of quantum Monte Carlo (QMC) methods in computing space localized ground state properties (properties which do not depend on distant degrees of freedom) as a function of the system size N. We prove that for the commonly used correlated sampling with reweighting method, the statistical fluctuations σ2(N) do not obey the locality property. σ2(N) grow at least linearly with N and with a slope that is related to the fluctuations of the reweighting factors. We provide numerical illustrations of these tendencies in the form of QMC calculations on linear chains of hydrogen atoms.
authors.affiliation: Laboratoire de Chimie Théorique, CNRS-UMR 7616, Université Pierre et Marie Curie Paris VI, Case 137, 4 place Jussieu, 75252 Paris Cedex 05, France.
authors.forename: Roland
authors.initials: R
authors.lastname: Assaraf
authors.affiliation: Laboratoire de Chimie Théorique, CNRS-UMR 7616, Université Pierre et Marie Curie Paris VI, Case 137, 4 place Jussieu, 75252 Paris Cedex 05, France.
authors.forename: Dominik
authors.initials: D
authors.lastname: Domin