On the selection of the particle to be perturbed in the Monte Carlo method

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Abstract

A new method is proposed for the selection of the particle to be perturbed in the single-particle move Metropolis Monte Carlo method which combines many advantages of the previously used random and cyclic methods. Ergodicity and relative efficiency are discussed. A numerical comparison is presented on a system of 45 Lennard-Jones particles.

Original languageEnglish
Pages (from-to)128-136
Number of pages9
JournalJournal of Computational Physics
Volume39
Issue number1
DOIs
StatePublished - Jan 1981
Externally publishedYes

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