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Selected Publication:

Caillol, JM; Lo Verso, F; Scholl-Paschinger, E; Weis, JJ.
(2007): Liquid-vapour transition of the long range Yukawa fluid
MOL PHYS. 2007; 105(13-14): 1813-1826. FullText FullText_BOKU

Two liquid state theories, the self-consistent Ornstein-Zernike equation (SCOZA) and the hierarchical reference theory (HRT) are shown, by comparison with Monte Carlo simulations, to perform extremely well in predicting the liquid-vapour coexistence of the hard-core Yukawa (HCY). fluid when the interaction is long range. The long range of the potential is treated in the simulations using both an Ewald sum and hyperspherical boundary conditions. In addition, we present an analytical optimized mean field theory which is exact in the limit of an infinitely long-range interaction. The work extends a previous one by C. Caccamo, G. Pellicane, D. Costa, D. Pini, and G. Stell, Phys. Rev. E 60, 5533 (1999) for short-range interactions.
Authors BOKU Wien:
Schöll-Paschinger Elisabeth
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