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Optimized multicanonical simulations: A proposal based on classical fluctuation theory

AuthorsViana Lopes, Joao; Costa, Miguel D.; Lopes dos Santos, J. M. B.; Toral, Raúl
Recursive estimation
Electronic density of states
Monte Carlo methods
Issue Date5-Oct-2006
PublisherAmerican Physical Society
CitationPhysical Review E 74, 046702 (2006)
AbstractWe propose a recursive procedure to estimate the microcanonical density of states in multicanonical Monte Carlo simulations which relies only on measurements of moments of the energy distribution, avoiding entirely the need for energy histograms. This method yields directly a piecewise analytical approximation to the microcanonical inverse temperature beta(E) and allows improved control over the statistics and efficiency of the simulations. We demonstrate its utility in connection with recently proposed schemes for improving the efficiency of multicanonical sampling, either with adjustment of the asymptotic energy distribution or with the replacement of single spin flip dynamics with collective updates.
Description9 pages.-- PACS numbers: 02.70.Rr, 64.60.Cn, 75.10.Hk, 05.10.Ln.-- Final full-text version of the paper available at: http://dx.doi.org/10.1103/PhysRevE.74.046702.
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