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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 33, 1977 - Issue 4
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Original Articles

Monte-Carlo simulation of water

Pages 1039-1050 | Received 25 Aug 1976, Published online: 22 Aug 2006
 

Abstract

The convergence properties of long-range interactions in a periodic polar system are considered and an efficient method for their evaluation proposed. This method is applied to a Monte-Carlo simulation of water at 1 g cm-3 and a nominal temperature of 300 K, using the ST2 potential of Rahman and Stillinger.

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