Density functional theory from spherically symmetric densities

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In a recent paper, Theophilou [J. Chem. Phys 149, 074104 (2018)] proved that in molecules and solids, a set of spherically symmetric densities determines uniquely the external potential. Here an alternative derivation of Theophilou’s new theorem is presented. A somewhat more general version is also proved via constrained search. Euler equations and Kohn-Sham equations are derived for spherically symmetric densities.

Original languageEnglish
Article number204112
JournalJournal of Chemical Physics
Issue number20
Publication statusPublished - Nov 28 2018


ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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