title: Structural and electronic properties of perylene from first principles calculations.
abstract: The electronic structure of crystalline perylene has been investigated within the framework of density functional theory including van der Waals interactions. The computations of the lattice parameters and cohesive energy have good agreement with experimental values. We have also calculated the binding distance and energy of perylene dimers, using different schemes, which include van der Waals interactions.
authors.affiliation: Physics Faculty, Kemerovo State University, Kemerovo 650043, Russia. ifedorov@kemsu.ru
authors.forename: I A
authors.initials: IA
authors.lastname: Fedorov
authors.forename: Y N
authors.initials: YN
authors.lastname: Zhuravlev
authors.forename: V P
authors.initials: VP
authors.lastname: Berveno
mesh_terms: D004583:Electrons; D015394:Molecular Structure; D010569:Perylene / Q000737:chemistry*; D011789:Quantum Theory
chemical_list: D010569:Perylene