The solution of the RISM equation for diatomic symmetric molecules
- 1 August 1979
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 38 (2) , 465-475
- https://doi.org/10.1080/00268977900101811
Abstract
The RISM equation for diatomic symmetric molecules is solved using a Weiner-Hopf factorization technique. This procedure introduces a function Q(r) which is related to both the site-site total correlation function h(r) and the site-site direct correlation function c(r). Determining Q(r) effectively solves the RISM equation. We show that Q(r) can be written as an infinite sum, for r greater than the hard sphere diameter R, and using this form, solve for Q(r) when 0 < r < R. To generate a solution, this infinite series must be truncated. A method to determine the coefficients in the truncated series is outlined.Keywords
This publication has 7 references indexed in Scilit:
- Solution of the Yukawa closure of the Ornstein-Zernike equationJournal of Statistical Physics, 1977
- Applications of the RISM equation to diatomic fluids: the liquids nitrogen, oxygen and bromineChemical Physics, 1976
- Transformation of the Chandler–Andersen RISM equation for fluids of diatomic moleculesThe Journal of Chemical Physics, 1976
- Hard sphere correlation functions in the Percus-Yevick approximationMolecular Physics, 1975
- Solution of a new integral equation for pair correlation functions in molecular liquidsThe Journal of Chemical Physics, 1973
- Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular LiquidsThe Journal of Chemical Physics, 1972
- Ornstein - Zernike Relation for a Disordered FluidAustralian Journal of Physics, 1968