Computing the Helmholtz energy function of solids: Difference between revisions
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The procedure is based in the techniques of [[thermodynamic integration]] | The procedure is based in the techniques of [[thermodynamic integration]]. | ||
The usual implementations derive from the paper by Frenkel and Ladd (See Ref.1) | |||
Revision as of 13:52, 28 March 2007
The procedure is based in the techniques of thermodynamic integration. The usual implementations derive from the paper by Frenkel and Ladd (See Ref.1)