Abstract
We propose that the free energy of solids and dense liquids can be calculated by combining perturbation theory with direct evaluation of free-energy difference by Monte Carlo sampling. The method provides a novel, convenient, and direct approach to the free energy of both solids and liquids without using thermodynamic integration or upper-bound approximations. Monte Carlo perturbation results for model two-dimensional systems are shown to be in very good agreement with free energy obtained by standard techniques.
Published Version
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