An efficient sampling algorithm for Variational Monte Carlo

Details An efficient sampling algorithm for Variational Monte Carlo An efficient sampling algorithm for Variational Monte Carlo

2006-06-16

arxiv.org/abs/cond-mat/0606439v1

Physics

Condensed Matter

Other Condensed Matter

23 pages

Scientific paper

10.1063/1.2354490

We propose a new algorithm for sampling the $N$-body density $|\Psi({\bf R})|^2/\int_{\mathbb{R}^{3N}} |\Psi|^2$ in the Variational Monte Carlo (VMC) framework. This algorithm is based upon a modified Ricci-Ciccotti discretization of the Langevin dynamics in the phase space $({\bf R},{\bf P})$ improved by a Metropolis acceptation/rejection step. We show through some representative numerical examples (Lithium, Fluorine and Copper atoms, and phenol molecule), that this algorithm is superior to the standard sampling algorithm based on the biased random walk (importance sampling).

Affiliated with

Also associated with

No associations

Rating

An efficient sampling algorithm for Variational Monte Carlo 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 An efficient sampling algorithm for Variational Monte Carlo, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and An efficient sampling algorithm for Variational Monte Carlo will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-389824