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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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3.1
论文数:
7.2W
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23.2W
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