Author： Labík S. Smith W.R. Pospísil R. Malijevsky¯ A.
Publisher： Taylor & Francis Ltd
ISSN： 1362-3028
Source： Molecular Physics, Vol.69, Iss.4, 1990-03, pp. : 649-660
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Abstract
A new theory based on the Ornstein-Zernike integral equation and applicable to any hard-body molecular fluid is proposed. The theory approximates the bridge function of the molecular fluid by the hard-sphere bridge function with an angular-dependent hard-sphere diameter. The theory is tested on the homonuclear hard-dumbell system over a wide range of elongations and densities. The predicted compressibility factors are numerically indistinguishable from available computer simulation results and the theory also gives a very good description of the pair distribution function, as represented both by the spherical harmonic expansion coefficients and by the site-site distribution functions.
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