Original Paper

Journal of Mathematical Chemistry

, Volume 51, Issue 5, pp 1397-1409

First online:

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

  • Ramon Carbó-DorcaAffiliated withInstitut de Química Computacional, Universitat de Girona Email author 

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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.


Density function origin shift Variational principle Hohenberg–Kohn Theorem Extended variational principle