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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 61, 1987 - Issue 3
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Original Articles

Grand-canonical ensemble Monte Carlo study of dense liquid

Lennard-Jones, soft spheres and water

Mihaly Mezei Chemistry Department and Center for Study of Gene Structure and Function, Hunter College of the City University of New York, 695 Park Avenue, New York, N.Y., 10021, U.S.A.
Pages 565-582 | Received 27 Oct 1986, Accepted 12 Jan 1987, Published online: 23 Aug 2006
 
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Abstract

The cavity biased Monte Carlo method for the (T, V, μ) ensemble has been tested on a system of Lennard-Jones particles near the triple point in the liquid and fluid state, on a system of dense soft spheres and on liquid water at room temperature. We demonstrate that the original (T, V, μ) algorithm of Adams is capable to provide accurate density at much higher densities than it was originally thought possible.

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