Kinetic energy density for open-shell systems: analysis and development of a novel technique

The quest for an approximate yet accurate kinetic energy density (KED) functional is central to the development of orbital-free theory. While a recipe closed-shell systems has been proposed earlier, we have shown that it cannot be naïvely extended open-shell atoms. In this present work, investigated efficacy ad-hoc compute densities atoms by extending methodology used systems. We also analysed spin-dependent features Pauli potentials derived from two previously devised enhancement factors. Further, alternate but exact systematically KED arbitrary spin multiplicity.