title: Hybrid functionals applied to extended systems.
abstract: We present an overview of the description of structural, thermochemical, and electronic properties of extended systems using several well known hybrid Hartree-Fock/density-functional-theory functionals (PBE0, HSE03, and B3LYP). In addition we address a few aspects of the evaluation of the Hartree-Fock exchange interactions in reciprocal space, relevant to all methods that employ a plane wave basis set and periodic boundary conditions.
authors.affiliation: Faculty of Physics, Universität Wien, and Center for Computational Materials Science, Sensengasse 8/12, A-1090 Vienna, Austria.
authors.forename: M
authors.initials: M
authors.lastname: Marsman
authors.forename: J
authors.initials: J
authors.lastname: Paier
authors.forename: A
authors.initials: A
authors.lastname: Stroppa
authors.forename: G
authors.initials: G
authors.lastname: Kresse