Scaling relations, virial theorem, and energy densities for long-range and short-range density functionals - Sorbonne Université
Article Dans Une Revue International Journal of Quantum Chemistry Année : 2006

Scaling relations, virial theorem, and energy densities for long-range and short-range density functionals

Résumé

Decomposition of the Coulomb electron- electron interaction into a long-range and a short-range part is described within the framework of density functional theory, deriving some scaling relations and the corresponding virial theorem. We study the behavior of the local density approximation in the high-density limit for the long-range and the short-range functionals by carrying out a detailed analysis of the correlation energy of a uniform electron gas interacting via a long-range-only electron- electron repulsion. Possible definitions of exchange and correlation energy densities are discussed and clarified with some examples.
Fichier principal
Vignette du fichier
article-scaling.pdf (192.99 Ko) Télécharger le fichier
Origine Fichiers produits par l'(les) auteur(s)
Loading...

Dates et versions

hal-00981828 , version 1 (22-04-2014)

Identifiants

Citer

Julien Toulouse, Paola Gori-Giorgi, Andreas Savin. Scaling relations, virial theorem, and energy densities for long-range and short-range density functionals. International Journal of Quantum Chemistry, 2006, 106, pp.2026. ⟨10.1002/qua.20813⟩. ⟨hal-00981828⟩
210 Consultations
222 Téléchargements

Altmetric

Partager

More