A Generalization of Metropolis and Heat-Bath Sampling for Monte Carlo Simulations

Details A Generalization of Metropolis and Heat-Bath Sampling for Monte Carlo Simulations A Generalization of Metropolis and Heat-Bath Sampling for Monte Carlo Simulations

1999-06-21

arxiv.org/abs/cond-mat/9906317v1

Physics

Condensed Matter

Statistical Mechanics

RevTeX, 7 pages, 2 tables

Scientific paper

10.1103/PhysRevE.60.1189

For a wide class of applications of the Monte Carlo method, we describe a general sampling methodology that is guaranteed to converge to a specified equilibrium distribution function. The method is distinct from that of Metropolis in that it is sometimes possible to arrange for unconditional acceptance of trial moves. It involves sampling states in a local region of phase space with probability equal to, in the first approximation, the square root of the desired global probability density function. The validity of this choice is derived from the Chapman-Kolmogorov equation, and the utility of the method is illustrated by a prototypical numerical experiment.

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