Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation
Résumé
An adiabatic-connection fluctuation-dissipation theorem approach based on a range separation of electron-electron interactions is proposed. It involves a rigorous combination of short-range densityfunctional and long-range random phase approximations. This method corrects several shortcomings of the standard random phase approximation and it is particularly well suited for describing weakly bound van der Waals systems, as demonstrated on the challenging cases of the dimers Be2 and Ne2.
Origine : Fichiers produits par l'(les) auteur(s)
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