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Note on Monte Carlo methods without necessary detailed balance
Authors:Christopher G. Jesudason
Affiliation:(1) Laboratory for Molecular Modelling and NMR, National Chemical Institute, Hajdrihova 19, 61115 Ljubljana, Slovenia
Abstract:
Simple criteria for convergence of Monte Carlo algorithms not necessarily requiring detailed balance for any specified transition probability are derived and it is shown that it is possible to view the algorithm as a superimposition of a Brownian motion on configurational space coupled to the transition probabilities. As such, the error contributions due to a particular Monte Carlo algorithm and the integration limits in configuration space must be distinguished from those due to the nonuniform sampling of the Brownian motion, and criteria related to the number of steps required to distinguish these errors are provided for the simplest cases involving one dimension and symmetrical probability distributions.
Keywords:Monte Carlo methods  detail balance
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