Diffusion Monte Carlo methods with a fixed number of walkers
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.
- Publication:
-
Physical Review E
- Pub Date:
- April 2000
- DOI:
- 10.1103/PhysRevE.61.4566
- Bibcode:
- 2000PhRvE..61.4566A
- Keywords:
-
- 02.70.Lq;
- 75.40.Mg;
- Numerical simulation studies