Higher order and infinite Trotter-number extrapolations in path integral Monte Carlo
Abstract
Improvements beyond the primitive approximation in the path integral Monte Carlo method are explored both in a model problem and in real systems. Two different strategies are studied: the Richardson extrapolation on top of the path integral Monte Carlo data and the Takahashi-Imada action. The Richardson extrapolation, mainly combined with the primitive action, always reduces the number-of-beads dependence, helps in determining the approach to the dominant power law behavior, and all without additional computational cost. The Takahashi-Imada action has been tested in two hard-core interacting quantum liquids at low temperature. The results obtained show that the fourth-order behavior near the asymptote is conserved, and that the use of this improved action reduces the computing time with respect to the primitive approximation.
Keywords
Cite
@article{arxiv.cond-mat/0404493,
title = {Higher order and infinite Trotter-number extrapolations in path integral Monte Carlo},
author = {L. Brualla and K. Sakkos and J. Boronat and J. Casulleras},
journal= {arXiv preprint arXiv:cond-mat/0404493},
year = {2009}
}
Comments
19 pages, RevTex, to appear in J. Chem. Phys