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Delayed Rejection Variational Monte Carlo

Author

Listed:
  • Mira Antonietta

    (Department of Economics, University of Insubria, Italy)

  • Bressanini Dario

    (Department of Chemical and Environmental Sciences, University of Insubria, Italy)

  • Morosi Gabriele

    (Department of Chemical and Environmental Sciences, University of Insubria, Italy)

  • Tarasco Silvia

    (Department of Chemical and Environmental Sciences, University of Insubria, Italy)

Abstract

A new acceleration algorithm to address the problem of multiple time scales in variational Monte Carlo simulations is presented. Core electrons usually require smaller time steps than valence electrons. After a first attempted move has been rejected, the delayed rejection algorithm attempts a second move with a smaller time step, so moves of both valence and core electrons can be accepted. Results on Be and Ne atoms as test cases are presented. Correlation time and both average accepted displacement and acceptance ratio as a function of the distance from the nucleus evidence the efficiency of the proposed algorithm in dealing with the multiple time scales problem.

Suggested Citation

  • Mira Antonietta & Bressanini Dario & Morosi Gabriele & Tarasco Silvia, 2003. "Delayed Rejection Variational Monte Carlo," Economics and Quantitative Methods qf0401, Department of Economics, University of Insubria.
    • Handle: RePEc:ins:quaeco:qf0401
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    File URL: https://www.eco.uninsubria.it/RePEc/pdf/QF2004_02.pdf
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