In order to minimize the error of a measured quantity with respect to computer time, the distribution of trial moves and frequency of measurements in the Metropolis Monte Carlo simulations of fluids are studied. A simple theory based both on fluctuations of density described by the brownian dynamics and on the microscopic behaviour of a moving molecule is proposed and tested on the hard sphere fluid and Lennard-Jones liquid. Recommendations for practical applications of the simulations are given.
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Jiřı́ Kolafa (1988) studied this question.
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