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Correlation functions for diatomic symmetric molecules from the RISM equation (1981)

Morriss, G. P. ; Smith, E. R.

Springer

Journal of statistical physics 24 (1981), S. 607-616

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Details

ISSN: 1572-9613

Schlagwort(e): RISM equation ; diatomic ; correlation functions

Quelle: Springer Online Journal Archives 1860-2000

Thema: Physik

Notizen: Abstract Using the solution of the RISM equation for diatomic symmetric molecules outlined in a previous paper, the site-site radial distribution function (RDF) is calculated and compared with the Monte Carlo results and the numerical RDF of Lowden and Chandler. The RDF calculated here and the numerical RDF of Lowden and Chandler agree well at intermediate and high densities. At low density, however, both have systematic errors. The agreement between the RDF calculated here and the Monte Carlo results suggests that a simplified formulation of the RISM solution may serve well as a reference system in a perturbation theory for diatomic fluids.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1007/BF01011378

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