Conditional probability density functional theory

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