An improved Monte Carlo method for direct calculation of the density of states

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Abstract

A method for calculation of the density of states of a system which combines the good statistical accuracy of transition matrix estimators with the rapid broad sampling of phase space generated by the Wang-Landau method is presented. This implementation requires only potential energy evaluations, and hence, is general to lattice and continuum systems. For the same reason and for the additional feature that the transition matrix presserves information from the complete simulation, the method is computationally efficient.

Original languageEnglish (US)
Pages (from-to)9406-9411
Number of pages6
JournalJournal of Chemical Physics
Volume119
Issue number18
DOIs
StatePublished - Nov 8 2003

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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