Diffusion Monte Carlo methods with a fixed number of walkers

Roland Assaraf, Michel Caffarel, and Anatole Khelif
Phys. Rev. E 61, 4566 – Published 1 April 2000
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Abstract

In this paper we discuss various aspects of diffusion Monte Carlo methods using a fixed number of walkers. First, a rigorous proof of the divergence of pure diffusion Monte Carlo (PDMC) methods (DMC without branching in which the weights are carried along trajectories) is given. Second, a bias-free Monte Carlo method combining DMC and PDMC approaches, and based on a minimal stochastic reconfiguration of the population, is discussed. Finally, some illustrative calculations for a system of coupled quantum rotators are presented.

  • Received 14 June 1999

DOI:https://doi.org/10.1103/PhysRevE.61.4566

©2000 American Physical Society

Authors & Affiliations

Roland Assaraf1, Michel Caffarel1, and Anatole Khelif2

  • 1CNRS, Laboratoire de Chimie Théorique, Université Pierre et Marie Curie, 4 Place Jussieu, 75252 Paris, France
  • 2CNRS, Laboratoire de Logique Mathématique, Université Denis Diderot, 2 Place Jussieu, 75251 Paris, France

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Vol. 61, Iss. 4 — April 2000

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