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, 61 (4 Pt B), 4566-75

Diffusion Monte Carlo Methods With a Fixed Number of Walkers

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Diffusion Monte Carlo Methods With a Fixed Number of Walkers

R Assaraf et al. Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics.

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.

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