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On the third-order coefficients of the tail of the direct correlation function: new computational direction

K. O. Monago


A practical scheme is here presented for the numerical calculation of the tail of the direct
correlation function. The procedure is shown to lead to accurate values for all the rooted
cluster integrals in the tail function which are proportional to ρ3. The derived expressions
are shown to be correct and reliable at all temperatures by comparison with the known
analytical results for the Gaussian potential function and certain irreducible cluster
diagrams that occur in the 5th virial coefficient.

Journal Identifiers

eISSN: 1118-1931
print ISSN: 1118-1931