Orbital-free spherical density functional theory

Abstract Recently, it has been proved that a set of spherically symmetric densities uniquely determines the Coulomb external potential. Utilizing this theorem, previous method is extended to construct an orbital-free density functional theory. Auxilary spherical non-interacting systems and Kohn–Sham-like equations are constructed. A generating functions defined. These have two extra variables reduced if equal zero. Euler rewritten as Schrödinger-like for square root functions. Generalized Pauli potentials defined, shown these can be calculated in knowledge The solved with potentials.