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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 104, 2006 - Issue 12
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Original Articles

Density expansion of the radial distribution and bridge functions of the hard sphere fluid

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Pages 1915-1924 | Received 20 Feb 2006, Accepted 01 Mar 2006, Published online: 21 Feb 2007
 

Abstract

The bridge function and the background correlation function (and consequently the radial distribution function) of the pure hard sphere fluid are expanded up to the sixth power in density. The calculations are based on the Ree–Hoover representation of the diagrams and Monte Carlo integration. The coefficients as functions of the particle–particle separation are fitted to splines taking into account discontinuities in higher derivatives up to the term of the order of (r- const)5.

Acknowledgements

This work was supported by the The Ministry of Education, Youth and Sports of the Czech Republic under the project LC512 (Center for Biomolecules and Complex Molecular Systems).

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