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APS » Journals » Phys. Rev. A » Volume 41 » Issue 2
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Phys. Rev. A 41, 1175–1178 (1990)

Local-states method for the calculation of free energies in Monte Carlo simulations of lattice models

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A. G. Schlijper and A. R. D. van Bergen
Koninklijke/Shell Exploratie en Produktie Laboratorium, P.O. Box 60, 2280 AB Rijswijk, The Netherlands

B. Smit
Koninklijke/Shell Laboratorium Amsterdam, P.O. Box 3003, 1003 AA Amsterdam, The Netherlands

Received 13 March 1989; published in the issue dated January 1990

We present and demonstrate an accurate, reliable, and computationally cheap method for the calculation of free energies in Monte Carlo simulations of lattice models. Even in the critical region it yields good results with comparatively short simulation runs. The method combines upper and lower bounds on the thermodynamic limit entropy density to yield not only an accurate estimate of the free energy but a bound on the possible error as well. The method is demonstrated on the two- and three-dimensional Ising models and the three-dimensional, three-states Potts model.

© 1990 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.41.1175
DOI:
10.1103/PhysRevA.41.1175
PACS:
02.70.+d, 05.50.+q, 05.70.Ce, 64.60.Cn
 
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