Diffusion Monte Carlo methods with a fixed number of walkers
Roland Assaraf, Michel Caffarel, Anatole Khélif
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.
Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics•Apr 1, 2000•91 citations