Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
110 (1999), S. 3961-3969
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
A closure for the Ornstein–Zernike equation was proposed on the basis of an analysis of the properties of bridge functionals. The closure allows one to calculate the two-particle distribution function g(r) of the Lennard-Jones fluid with a relative error that does not exceed 1%–2% at all densities and temperatures. At the same time, the thermodynamic parameters of fluid in the same approximation are calculated with larger error. It has been shown that these facts are due to those additional errors that are entered by the formulas establishing the linkage between g(r) and thermodynamic parameters. © 1999 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.478276
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