Delayed Rejection Variational Monte Carlo

Mira Antonietta (), Bressanini Dario (), Morosi Gabriele () and Tarasco Silvia ()
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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

Economics and Quantitative Methods from Department of Economics, University of Insubria

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.

Pages: 24 pages
Date: 2003-09
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Persistent link: https://EconPapers.repec.org/RePEc:ins:quaeco:qf0401

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