title: Chemical bonding and electronic and magnetic structure in LaOFeAs.
abstract: Periodic density functional calculations using hybrid exchange-correlation functionals predict that LaOFeAs is a strongly frustrated antiferromagnetic insulator with important covalence between Fe and As, with evident similarities with cuprates.
authors.affiliation: Departament de Química Física and Institut de Química Teòrica i Computacional, Universitat de Barcelona, C/Martíi Franquès 1, E-08028 Barcelona, Spain. jcwojdel@icmab.es
authors.forename: Jacek C
authors.initials: JC
authors.lastname: Wojdeł
authors.forename: Ibério de P R
authors.initials: Ide P
authors.lastname: Moreira
authors.forename: Francesc
authors.initials: F
authors.lastname: Illas