Calculations of canonical averages from the grand canonical ensemble

Kosov, D.S., Gelin, M.F., and Vdovin, A.I. (2008) Calculations of canonical averages from the grand canonical ensemble. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 77 (2). 021120. pp. 1-6.

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Abstract

Grand canonical and canonical ensembles become equivalent in the thermodynamic limit, but when the system size is finite the results obtained in the two ensembles deviate from each other. In many important cases, the canonical ensemble provides an appropriate physical description but it is often much easier to perform the calculations in the corresponding grand canonical ensemble. We present a method to compute averages in the canonical ensemble based on calculations of the expectation values in the grand canonical ensemble. The number of particles, which is fixed in the canonical ensemble, is not necessarily the same as the average number of particles in the grand canonical ensemble.

Item ID: 26210
Item Type: Article (Research - C1)
ISSN: 1550-2376
Date Deposited: 10 Apr 2013 02:49
FoR Codes: 02 PHYSICAL SCIENCES > 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics > 020201 Atomic and Molecular Physics @ 50%
03 CHEMICAL SCIENCES > 0307 Theoretical and Computational Chemistry > 030704 Statistical Mechanics in Chemistry @ 50%
SEO Codes: 97 EXPANDING KNOWLEDGE > 970102 Expanding Knowledge in the Physical Sciences @ 100%
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