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Monte Carlo simulation using the Fourier transform of the interatomic potential

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Abstract

When doing Monte Carlo simulations using continuous potentials, the evaluation of the configurational potential energy ink-space by Fourier transformation is shown to be a computationally attractive scheme for systems where the long-range interatomic interaction spans a dimension comparable to the size of the simulated system.

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Authors and Affiliations

  1. Department of Physics, Simon Fraser University, V5A 1S6, Vancouver, B.C., Canada

    Michael Plischke

  2. IBM Almaden Research Center, 95120-6099, San Jose, California

    Farid F. Abraham

Authors
  1. Michael Plischke
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  2. Farid F. Abraham
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Plischke, M., Abraham, F.F. Monte Carlo simulation using the Fourier transform of the interatomic potential. J Stat Phys 52, 1353–1358 (1988). https://doi.org/10.1007/BF01011652

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  • DOI: https://doi.org/10.1007/BF01011652

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