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In this work we present an efficient procedure to evaluate effective pair potentials compatible with "experimental" distribution functions using a Monte Carlo simulation scheme. Using computer simulation results for the pair distribution functions, we have applied the method to a Lennard-Jones fluid and to a model of liquid aluminum. In both cases the procedure was able to recover with high accuracy the actual interaction potential of the systems. Moreover, the procedure can easily incorporate additional information, for instance, thermodynamic properties, in order to improve the reliability of the results.
Inverse Monte Carlo, Effective potential
Inverse Monte Carlo, Effective potential
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