TITLE

On the contact values of the derivatives of the hard-sphere radial distribution function

AUTHOR(S)
Robles, M.; López de Haro, M.
PUB. DATE
September 1997
SOURCE
Journal of Chemical Physics;9/22/1997, Vol. 107 Issue 12, p4648
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Approximate analytical expressions for the values of the derivatives of the radial distribution function at contact in a hard-sphere fluid are derived. These expressions are obtained within a rational function approximation (RFA) method recently developed. The results are compared with those based on the Percus-Yevick approximation, as well as with those obtained from expressions for the cavity function inside the core or through computer simulations. While the qualitative dependence on the packing fraction is similar for the values of the first two derivatives at contact in all cases, the one corresponding to the third derivative is definitely different in our approach from that previously reported. The integral moments of the total correlation function as given by the RFA method are also computed.
ACCESSION #
19381164

 

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