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Repulsive reference potential reproducing the dynamics of a liquid with attractions
Ulf R Pedersen1, Thomas B Schrøder, Jeppe C Dyre
1Department of Chemistry, University of California, Berkeley, California 94720-1460, USA. urp@berkeley.edu
Abstract:
A well-known result of liquid state theory is that the structure of dense fluids is mainly determined by their repulsive forces. The Weeks-Chandler-Andersen potential, which cuts intermolecular potentials at their minima, is therefore often used as a reference. However, this cannot reproduce the viscous dynamics of the Kob-Andersen binary Lennard-Jones liquid [Berthier and Tarjus, Phys. Rev. Lett. 103, 170601 (2009)]. This paper shows that repulsive inverse-power-law potentials provide a reference for this liquid that reproduces its structure, dynamics, and isochoric heat capacity.
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