Diffusion Monte Carlo methods with a fixed number of walkers

Citation
R. Assaraf et al., Diffusion Monte Carlo methods with a fixed number of walkers, PHYS REV E, 61(4), 2000, pp. 4566-4575
Citations number
21
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW E
ISSN journal
1063651X → ACNP
Volume
61
Issue
4
Year of publication
2000
Part
B
Pages
4566 - 4575
Database
ISI
SICI code
1063-651X(200004)61:4<4566:DMCMWA>2.0.ZU;2-Y
Abstract
In this paper we discuss various aspects of diffusion Monte Carlo methods u sing a fixed number of walkers. First, a rigorous proof of the divergence o f 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 minima l stochastic reconfiguration of the population, is discussed. Finally, some illustrative calculations for a system of coupled quantum rotators are pre sented.