Exchange-correlation potentials and local energies per particle along nonlinear adiabatic connections - Sorbonne Université
Article Dans Une Revue Molecular Physics Année : 2005

Exchange-correlation potentials and local energies per particle along nonlinear adiabatic connections

Julien Toulouse
Francois Colonna
  • Fonction : Auteur
  • PersonId : 831786

Résumé

We study nonlinear adiabatic connection paths in density-functional theory using modified electron-electron interactions that perform a long-range/short-range separation of the Coulomb interaction. These adiabatic connections allow us to define short-range exchange-correlation potentials and short-range local exchange-correlation energies per particle which we have calculated accurately for the He and Be atoms and compared to the corresponding quantities in the local density approximation (LDA). The results confirm that the LDA better describes exchange-correlation potentials and local exchange-correlation energies per particle when the range of the interaction is reduced.
Fichier principal
Vignette du fichier
article-poteps.pdf (383.94 Ko) Télécharger le fichier
Origine Fichiers produits par l'(les) auteur(s)
Loading...

Dates et versions

hal-00981840 , version 1 (22-04-2014)

Identifiants

Citer

Julien Toulouse, Francois Colonna, Andreas Savin. Exchange-correlation potentials and local energies per particle along nonlinear adiabatic connections. Molecular Physics, 2005, 103, pp.2725-2734. ⟨10.1080/00268970500134615⟩. ⟨hal-00981840⟩
189 Consultations
170 Téléchargements

Altmetric

Partager

More