We present a classical density functional to model the soft, repulsive potential of a Weeks-Chandler-Andersen (WCA) fluid using Soft Fundamental Measure Theory (SFMT) with temperature-dependent parameters inspired by the Barker-Henderson method. Our functional uses soft spheres to model the soft-sphere WCA potential, and gives results that are in good agreement...
We use Classical Density Functional Theory (cDFT) to predict the freezing of a Weeks-Chandler-Anderson (WCA) fluid, and construct pressure-temperature and temperature-density phase diagrams. A WCA fluid consists of soft spheres that exhibit the repulsive portion of the Lennard-Jones potential widely used to model the interaction of two neutral atoms. Our...