DOI: 10.1063/1.1760512. Higher order and infinite Trotter-number extrapolations in path integral Monte Carlo

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

10.1063/1.1760512

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

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.

Bibliography

Brualla, L., Sakkos, K., Boronat, J., & Casulleras, J. (2004). Higher order and infinite Trotter-number extrapolations in path integral Monte Carlo. The Journal of Chemical Physics, 121(2), 636â643.

Authors 4

L. Brualla (first)
K. Sakkos (additional)
J. Boronat (additional)
J. Casulleras (additional)

References 36 Referenced 46

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Dates

Type	When
Created	21 years, 2 months ago (June 23, 2004, 6:02 p.m.)
Deposited	1 year, 7 months ago (Jan. 13, 2024, 2:03 p.m.)
Indexed	1 year, 7 months ago (Jan. 13, 2024, 7:05 p.m.)
Issued	21 years, 2 months ago (June 24, 2004)
Published	21 years, 2 months ago (June 24, 2004)
Published Online	21 years, 2 months ago (June 24, 2004)
Published Print	21 years, 1 month ago (July 8, 2004)

Funders 0

None

BibTeX

@article{Brualla_2004, title={Higher order and infinite Trotter-number extrapolations in path integral Monte Carlo}, volume={121}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1760512}, DOI={10.1063/1.1760512}, number={2}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Brualla, L. and Sakkos, K. and Boronat, J. and Casulleras, J.}, year={2004}, month=jun, pages={636–643} }

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