4.7 Article

Diffusion Monte Carlo methods with a fixed number of walkers

Journal

PHYSICAL REVIEW E
Volume 61, Issue 4, Pages 4566-4575

Publisher

AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevE.61.4566

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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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