Long-range dipolar interactions in computer simulations of polar liquids
- 30 August 1978
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 36 (2), 463-474
- https://doi.org/10.1080/00268977800101701
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.Keywords
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