Site density functional theory (SDFT) provides a rigorous framework for statistical mechanics analysis of inhomogeneous molecular liquids. The key defining feature these systems is the presence two very distinct interactions scales (intra- and inter-molecular), as such proper description both effects critical to accuracy calculations. Current SDFT applications utilize same approximation scheme ...

Conditional probability density functional theory (CP-DFT) determines the ground-state energy of a many-electron system by finding conditional from parallelizable series Kohn-Sham DFT calculations. By directly calculating densities, authors bypass need for an approximate exchange-correlation (XC) functional. CP-DFT is formally exact, but potentials are used in practice. We explore suitable appr...