Diffusion Monte Carlo method: numerical analysis in a simple case

Details Diffusion Monte Carlo method: numerical analysis in a simple case Diffusion Monte Carlo method: numerical analysis in a simple case

2007-03-14

arxiv.org/abs/math/0703407v1

Mathematics

Numerical Analysis

Scientific paper

The Diffusion Monte Carlo method is devoted to the computation of electronic ground-state energies of molecules. In this paper, we focus on implementations of this method which consist in exploring the configuration space with a {\bf fixed} number of random walkers evolving according to a Stochastic Differential Equation discretized in time. We allow stochastic reconfigurations of the walkers to reduce the discrepancy between the weights that they carry. On a simple one-dimensional example, we prove the convergence of the method for a fixed number of reconfigurations when the number of walkers tends to $+\infty$ while the timestep tends to 0. We confirm our theoretical rates of convergence by numerical experiments. Various resampling algorithms are investigated, both theoretically and numerically

Affiliated with

Also associated with

No associations

Rating

Diffusion Monte Carlo method: numerical analysis in a simple case does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Diffusion Monte Carlo method: numerical analysis in a simple case, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Diffusion Monte Carlo method: numerical analysis in a simple case will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-715845