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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 47, 1982 - Issue 4
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Original Articles

The dielectric constant of polar hard dumb-bells Dependence on molecular shape

Pages 833-848 | Received 12 Feb 1982, Accepted 24 May 1982, Published online: 11 Aug 2006
 

Abstract

A Monte Carlo study of the dielectric constant of the polar hard dumb-bell fluid as a function of elongation l * is presented. The dielectric constant is found to be a decreasing function of l *. The simulation methodology is discussed and various routes to the dielectric constant and simulation energy are investigated. The dipole-dipole contribution to the energy agrees well with the energy calculated by the Ewald summation technique whereas the energy calculated from site-site correlation functions does not.

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