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Ilya G. Ryabinkin and Viktor N. Staroverov Exact relations between the electron density and external potential for systems of interacting and noninteracting electrons International Journal of Quantum Chemistry 113

Article first published online: 21 DEC 2012 | DOI: 10.1002/qua.24374

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The differential virial theorem—an exact explicit relation between the Kohn–Sham effective potential, electron density, and two orbital-dependent quantities—is revisited and derived in a new way. The significance of this relation is that it can be used to determine exchange-correlation potentials from given electron densities and to analyze the density-potential mapping. It may also play a role in the development of density-functional methods for excited states.

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