Abstract
Using the solution of the RISM equation for diatomic symmetric molecules outlined in a previous paper, the site-site radial distribution function (RDF) is calculated and compared with the Monte Carlo results and the numerical RDF of Lowden and Chandler. The RDF calculated here and the numerical RDF of Lowden and Chandler agree well at intermediate and high densities. At low density, however, both have systematic errors. The agreement between the RDF calculated here and the Monte Carlo results suggests that a simplified formulation of the RISM solution may serve well as a reference system in a perturbation theory for diatomic fluids.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
G. P. Morriss, J. W. Perram, and E. R. Smith,Mol. Phys. 38:465 (1979).
L. J. Lowden and D. Chandler,J. Chem. Phys. 59:6587 (1973).
D. Chandler,Mol. Phys. 31:1213 (1976).
J. W. Perram,Mol. Phys. 30:1505 (1975).
W. W. Wood, Monte Carlo Studies of Simple Liquid Models, inPhysics of Simple Liquids, H. N. V. Temperley, ed.
L. J. Lowden, RISM, RISMGR, RISMSK, Program number QCPE 306, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana 47401, U.S.A.
P. T. Cummings and E. R. Smith,Mol. Phys. (1978a) in press.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Morriss, G.P., Smith, E.R. Correlation functions for diatomic symmetric molecules from the RISM equation. J Stat Phys 24, 607–616 (1981). https://doi.org/10.1007/BF01011378
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF01011378