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Selected Publication:

Guillen-Escamilla, I; Scholl-Paschinger, E; Castaneda-Priego, R.
(2010): A parametrisation of the direct correlation function for the square-shoulder fluid
MOL PHYS. 2010; 108(2): 141-150. FullText FullText_BOKU

Abstract:
We introduce a parametrisation of the direct correlation function for the square-shoulder fluid and demonstrate that this parametrisation is in quantitative agreement with the numerical solution of the Ornstein-Zernike equation within the Percus-Yevick approximation. Moreover, the radial distribution function obtained from the parametrisation reproduces quantitatively Monte Carlo simulation data. Our results show that the parametrisation is accurate over a large regime of densities for different interaction ranges and potential strengths.
Authors BOKU Wien:
Schöll-Paschinger Elisabeth
BOKU Gendermonitor:


Find related publications in this database (Keywords)
square-shoulder fluid
simple fluids
direct correlation functions
Ornstein-Zernike


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