Diffusion Monte Carlo: Exponential scaling of computational cost for large systems

Details Diffusion Monte Carlo: Exponential scaling of computational cost for large systems Diffusion Monte Carlo: Exponential scaling of computational cost for large systems

2009-06-02

arxiv.org/abs/0906.0501v4

Phys. Rev. B 81, 035119 (2010)

Physics

Computational Physics

6 pages, 3 figures, published by Phys. Rev. B (further changes following referee's reports)

Scientific paper

10.1103/PhysRevB.81.035119

The computational cost of a Monte Carlo algorithm can only be meaningfully discussed when taking into account the magnitude of the resulting statistical error. Aiming for a fixed error per particle, we study the scaling behavior of the diffusion Monte Carlo method for large quantum systems. We identify the correlation within the population of walkers as the dominant scaling factor for large systems. While this factor is negligible for small and medium sized systems that are typically studied, it ultimately shows exponential scaling. The scaling factor can be estimated straightforwardly for each specific system and we find that is typically only becomes relevant for systems containing more than several hundred atoms.

Affiliated with

Also associated with

No associations

Rating

Diffusion Monte Carlo: Exponential scaling of computational cost for large systems 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: Exponential scaling of computational cost for large systems, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Diffusion Monte Carlo: Exponential scaling of computational cost for large systems will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-235489