Variational principle, Hohenberg–Kohn theorem, and density function origin shifts
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- Carbó-Dorca, R. J Math Chem (2013) 51: 1397. doi:10.1007/s10910-013-0154-7
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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.