Transformation of the Chandler–Andersen RISM equation for fluids of diatomic molecules
- 15 February 1976
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 64 (4) , 1481-1484
- https://doi.org/10.1063/1.432363
Abstract
The reference interaction site model (RISM) equation of Chandler and Andersen [J. Chem. Phys. 57, 1930 (1972)] is transformed by means of a technique of Wertheim [J. Math. Phys. 5, 643 (1964)] into a form which involves the indirect correlation function over a reduced range. It is expected that, as with Baxter’s form of the Ornstein–Zernike equation [Phys. Rev. 154, 170 (1967); Aust. J. Phys. 21, 563 (1968)], this reduction will facilitate numerical solution of the RISM equation.Keywords
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