, Volume 51, Issue 5, pp 1397-1409
Date: 28 Feb 2013

Variational principle, Hohenberg–Kohn theorem, and density function origin shifts

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Abstract

Origin shifts performed on the density functions (DF) permit to express the Hohenberg–Kohn theorem (HKT) as a consequence of the variational principle. Upon ordering the expectation values of Hermitian operators, an extended variational principle can be described using origin shifted DF. Under some restrictions, HKT can be extended for some specific Hermitian operators.