SELF-CONSISTENT DENSITY-FUNCTIONAL THEORY AND THE EQUATION OF STATE FOR SIMPLE FLUIDS

The accuracy of the self-consistent density functional theory, based o n the idea of universality of the so-called 'bridge functional', is te sted by comparison with the extensive simulations for the Lennard-Jone s bulk fluid (Johnson et al. 1993, Molec. Phys., 78, 591). In this ben chmark test very good agreement with the simulation results is obtaine d, and thermodynamic consistency is accurately obeyed between the 'Ene rgy', 'Virial (Pressure)', and 'Compressibility' independent routes to the equation of state.