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Spherical potential functional theory
1Department of Theoretical Physics, University of Debrecen, H-4002 Debrecen, Hungary.
Abstract:
According to a recent theorem of Theophilou [J. Chem. Phys. 149, 074104 (2018)], a set of spherically symmetric densities determines uniquely the external potential in molecules and solids. This theorem leads to a fresh formulation of density functional theory. However, a "set-representability problem" arises: does a density exist for a given set of spherically symmetric densities? This representability problem is now solved using the potential instead of the density as a basic variable.
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