Estimation of free energy via single particle sampling in Monte Carlo simulations
- 15 January 1993
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 98 (2) , 1531-1533
- https://doi.org/10.1063/1.464268
Abstract
A new method for calculating the free energy in Monte Carlo simulations without the use of particle insertion is discussed. It is shown that while the method is exact, its implementation with one particle sampling requires an approximation. The validity of the approximation is examined by studying a one-dimensional Ising model.Keywords
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