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The traditional view that the physical properties of a simple liquid aredetermined primarily by its repulsive forces was recently challenged byBerthier and Tarjus, who showed that in some cases ignoring the attractionsleads to large errors in the dynamics [L. Berthier and G. Tarjus, Phys. Rev.Lett. 103, 170601 (2009); J. Chem. Phys. 134, 214503 (2011)]. We presentsimulations of the standard Lennard-Jones liquid at several condensed-fluidstate points, including a fairly low density state and a very high densitystate, as well as simulations of the Kob-Andersen binary Lennard-Jones mixtureat several temperatures. By varying the range of the forces, results for thethermodynamics, dynamics, and structure show that the determining factor forgetting the correct statics and dynamics is not whether or not the attractiveforces {\it per se} are included in the simulations. What matters is whether ornot interactions are included from all particles within the first coordinationshell (FCS) - the attractive forces can thus be ignored, but only at extremelyhigh densities. The recognition of the importance of a local shell in condensedfluids goes back to van der Waals; our results confirm this idea and therebythe basic picture of the old hole- and cell theories for simple condensedfluids.

Role of the first coordination shell in determining the equilibrium structure and dynamics of simple liquids