Properties of the multi-electron densities "between" the Hohenberg-Kohn theorems and variational principle

Research output: Article

8 Citations (Scopus)

Abstract

The properties of multi-electron densities are analyzed along with their behavior with respect to the two Hohenberg-Kohn theorems and the fundamental extension by Ziesche, Ayers and Levy in this manner. This analysis is continued with the form of density functionals and density differential and/or integral operators on different levels of dimensions between the variational principle (4N-dimension) and Hohenberg-Kohn theorems (3-dimension). The trend in ionization potentials is commented upon. The exact density functional operator of H-like atoms and one-electron systems is also discussed with the two-electron systems, not only as simple "forever prototypes", but as a certain projection of one-electron density formalism of N ≥ 1 electron systems to N = 1 and 2. The review part of this work is focusing primarily on functional analytical properties.

Original languageEnglish
Pages (from-to)1-11
Number of pages11
JournalJournal of Molecular Structure: THEOCHEM
Volume858
Issue number1-3
DOIs
Publication statusPublished - jún. 15 2008

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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