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arXiv · 1108.1094

Identities for density functionals linking functionals of different densities

Daniel P. Joubert
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Abstract

In electron density functional theory formal properties of density functionals play an important role in constructing and testing approximate functionals. In this paper it is shown that a set of density functionals satisfy an equation that links functionals of densities of N and N-1 systems of the same Hamiltonian. In particular the identity is satisfied by the sum of the Hartree and exchange-correlation energies.

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Daniel P. Joubert. 2011-08-07. Identities for density functionals linking functionals of different densities. https://arxiv.org/abs/1108.1094

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