The solution of the Percus-Yevick approximation for fluids with angle-dependent pair interactions. A general method with results for dipolar hard spheres

A general method is presented which allows the Percus–Yevick (PY) and reference Percus–Yevick (RPY) integral equation theories to be solved for fluids of particles interacting with anisotropic pair potentials. The numerical solution is based upon a fast quasianalytic method of expanding the closure...

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Veröffentlicht in:The Journal of chemical physics 1986-12, Vol.85 (12), p.7307-7311
Hauptverfasser: FRIES, P. H, PATEY, G. N
Format: Artikel
Sprache:eng
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Zusammenfassung:A general method is presented which allows the Percus–Yevick (PY) and reference Percus–Yevick (RPY) integral equation theories to be solved for fluids of particles interacting with anisotropic pair potentials. The numerical solution is based upon a fast quasianalytic method of expanding the closure relationships in a basis set of rotational invariants. The RPY equations are solved explicitly for dense dipolar hard sphere fluids and the results obtained are compared with Monte Carlo data and with other integral equation approximations.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.451369