A Survey on Reptation Quantum Monte Carlo

  • Wai Kong Yuen
  • Stuart M. Rothstein
Chapter
Part of the Progress in Theoretical Chemistry and Physics book series (PTCP, volume 22)

Abstract

We review the conceptual and mathematical foundations of reptation quantum Monte Carlo and its variants, placing them in the context of other path integral-based methods and the commonly-used diffusion Monte Carlo method. We describe quantum Monte Carlo sampling from the pure distribution, and strategies to improve the efficiency of this sampling. This is followed by a compilation of applications to electronic structure problems and to those in condensed matter physics. We conclude by reflecting on potential improvements of quantum Monte Carlo algorithms and how they will evolve with developments in high performance computing.

Keywords

Acceptance Probability Diffusion Move Imaginary Time Rotational Spectrum Mixed Distribution 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Notes

Acknowledgements

This work was supported, in part, by grants from the Natural Sciences and Engineering Research Council of Canada (NSERC).

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Copyright information

© Springer Science+Business Media B.V. 2012

Authors and Affiliations

  • Wai Kong Yuen
    • 1
  • Stuart M. Rothstein
    • 2
  1. 1.Department of MathematicsBrock UniversitySt. CatharinesCanada
  2. 2.Departments of Chemistry and PhysicsBrock UniversitySt. CatharinesCanada

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