Computing the Helmholtz energy function of solids: Difference between revisions
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The procedure is based | The procedure (See Refererences 1 and 2) is based on the techniques of [[thermodynamic integration]]. | ||
The usual implementations derive from the paper by Frenkel and Ladd (See Ref.1) | The usual implementations derive from the paper by Frenkel and Ladd (See Ref.1) | ||
== References == | |||
#[http://dx.doi.org/10.1063/1.1699114 Nicholas Metropolis, Arianna W. Rosenbluth, Marshall N. Rosenbluth, Augusta H. Teller and Edward Teller, "Equation of State Calculations by Fast Computing Machines", Journal of Chemical Physics '''21''' pp.1087-1092 (1953)] | |||
Revision as of 14:56, 28 March 2007
The procedure (See Refererences 1 and 2) is based on the techniques of thermodynamic integration. The usual implementations derive from the paper by Frenkel and Ladd (See Ref.1)