Higher order and infinite Trotter-number extrapolations in path integral Monte Carlo

Details Higher order and infinite Trotter-number extrapolations in path integral Monte Carlo Higher order and infinite Trotter-number extrapolations in path integral Monte Carlo

2004-04-21

arxiv.org/abs/cond-mat/0404493v1

Physics

Condensed Matter

Statistical Mechanics

19 pages, RevTex, to appear in J. Chem. Phys

Scientific paper

10.1063/1.1760512

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.

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