Self-referential method: Difference between revisions
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The '''self-referential method''' is a [[computer simulation techniques |computer simulation technique]] for calculating either the difference in the [[Helmholtz energy function]] between similar systems of differing sizes in the [[Canonical ensemble]], or for computing the [[Gibbs energy function]] when in the [[Isothermal-isobaric ensemble]]. | |||
==See also== | ==See also== | ||
*[[Computing the Helmholtz energy function of solids]] | *[[Computing the Helmholtz energy function of solids]] | ||
Revision as of 15:07, 15 February 2008
The self-referential method is a computer simulation technique for calculating either the difference in the Helmholtz energy function between similar systems of differing sizes in the Canonical ensemble, or for computing the Gibbs energy function when in the Isothermal-isobaric ensemble.
See also
References
- M. B. Sweatman "Self-referential Monte Carlo method for calculating the free energy of crystalline solids", Physical Review E 72 016711 (2005)
- Martin B. Sweatman, Alexander A. Atamas, and Jean-Marc Leyssale "The self-referential method combined with thermodynamic integration", Journal of Chemical Physics 128 064102 (2008)