title: Rydberg, valence, and ion-pair quintet states of O2.
abstract: We report an ab initio study of the quintet states of molecular oxygen. The calculations are carried out employing the multireference single and double excitation configuration interaction package. Potential energy curves of the six quintet valence states dissociating into ground state atoms and of the four quintet states dissociating to ion-pair atoms were computed. A number of bound quintet Rydberg series converging to the a(4)Πu and b(4)Σg(-) states of the O2(+) cation have been identified.
authors.affiliation: Institut des Sciences Moléculaires d'Orsay (ISMO), Bât. 210, Univ. Paris Sud (CNRS), 91405 Orsay Cedex, France.
authors.forename: H
authors.initials: H
authors.lastname: Lefebvre-Brion
authors.affiliation: Fachbereich C-Mathematik und Naturwissenschaften, Universität Wuppertal, Gaußstraße 20, D-42119 Wuppertal, Germany.
authors.forename: H P
authors.initials: HP
authors.lastname: Liebermann
authors.affiliation: Recursos Hidraulicos, 62260 Cuernavaca, Mexico.
authors.forename: J M
authors.initials: JM
authors.lastname: Amero
authors.affiliation: Instituto de Ciencias Físicas, Universidad Nacional Autónoma de México (UNAM), 62210 Cuernavaca, Mexico.
authors.forename: G J
authors.initials: GJ
authors.lastname: Vázquez