A short-range correlation energy density functional with multi-determinantal reference - Sorbonne Université Accéder directement au contenu
Article Dans Une Revue Theoretical Chemistry Accounts: Theory, Computation, and Modeling Année : 2005

A short-range correlation energy density functional with multi-determinantal reference

Résumé

We introduce a short-range correlation density functional defined with respect to a multi-determinantal reference which is meant to be used in a multi-determinantal extension of the Kohn-Sham scheme of density functional theory based on a long-range/short-range decomposition of the Coulomb electron-electron interaction.We construct the local density approximation for this functional and discuss its performance on the He atom.
Fichier principal
Vignette du fichier
article-ecmd.pdf (144.49 Ko) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)
Loading...

Dates et versions

hal-00981834 , version 1 (22-04-2014)

Identifiants

Citer

Julien Toulouse, Paola Gori-Giorgi, Andreas Savin. A short-range correlation energy density functional with multi-determinantal reference. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2005, 114, pp.305. ⟨10.1007/s00214-005-0688-2⟩. ⟨hal-00981834⟩
446 Consultations
221 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More