title: Hybrid functionals with local range separation.
abstract: Range-separated (screened) hybrid functionals provide a powerful strategy for incorporating nonlocal exact (Hartree-Fock-type) exchange into density functional theory. Existing implementations of range separation use a fixed system-independent screening parameter. Here, we propose a novel method that uses a position-dependent screening function. These locally range-separated hybrids add substantial flexibility for describing diverse electronic structures and satisfy a high-density scaling constraint better than the fixed screening approximation does.
authors.affiliation: Department of Chemistry, Rice University, Houston, Texas 77005-1892, USA.
authors.forename: Aliaksandr V
authors.initials: AV
authors.lastname: Krukau
authors.forename: Gustavo E
authors.initials: GE
authors.lastname: Scuseria
authors.forename: John P
authors.initials: JP
authors.lastname: Perdew
authors.forename: Andreas
authors.initials: A
authors.lastname: Savin