title: Van der Waals interactions at surfaces by density functional theory using Wannier functions.
abstract: The method, recently developed to include van der Waals interactions in the density functional theory by using the maximally localized Wannier functions, is extended to the case of atoms and fragments weakly bonded (physisorbed) to metal and semimetal surfaces, thus opening the way to realistic simulations of surface-physics processes, where van der Waals interactions play a key role. Successful applications to the case of Ar on graphite and of Ar, He, and H(2) on the Al(100) surface are presented.
authors.affiliation: Dipartimento di Fisica G. Galilei, Università di Padova, via Marzolo 8, I-35131 Padova, Italy. psil@pd.infn.it
authors.forename: Pier Luigi
authors.initials: PL
authors.lastname: Silvestrelli
authors.forename: Karima
authors.initials: K
authors.lastname: Benyahia
authors.forename: Sonja
authors.initials: S
authors.lastname: Grubisiĉ
authors.forename: Francesco
authors.initials: F
authors.lastname: Ancilotto
authors.forename: Flavio
authors.initials: F
authors.lastname: Toigo