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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 47, 1982 - Issue 2
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Original Articles

Integral equations for fluids of linear molecules

II. Hard dumbell solutions

Pages 299-311 | Received 08 Feb 1982, Accepted 21 Apr 1982, Published online: 22 Aug 2006
 

Abstract

The reference-hypernetted chain integral equation, incorporating a spherically symmetric approximation for the bridge function B 0(12), has been numerically solved for a fluid of hard dumbells over an extended set of densities and elongations. Comparison with Monte Carlo data shows that the spherically symmetric B 0(12) is inadequate only when a large density is combined with a large elongation.

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