Computing the Helmholtz energy function of solids

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There are various methods of computing the Helmholtz energy function of solid phases. The most widely used is the procedure based on the techniques of thermodynamic integration. The usual implementations derive from the paper by Frenkel and Ladd [1] which makes use of the Einstein crystal concept. Recently, a more efficient formalism has been developed by N. G. Almarza [2].

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