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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 36, 1978 - Issue 2
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Original Articles

Long-range dipolar interactions in computer simulations of polar liquids

Pages 463-474 | Received 07 Sep 1977, Published online: 30 Aug 2006
 

Abstract

Systematic Monte-Carlo studies of hard-sphere dipolar liquids are reported. A method proposed in a previous paper for evaluating the long-range dipolar interactions is developed and tested. The N-dependence of various thermodynamic properties is examined in an attempt to assess the accuracy with which these properties can be calculated by small-scale computer simulations. A direct comparison is made between the results of a computer simulation of an infinite periodic system and those obtained from the linearized hypernetted chain equation.

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