title: The electronic spectrum of the UO2 molecule.
abstract: The electronic spectrum of the UO(2) molecule has been determined using multiconfigurational wave functions together with the inclusion spin-orbit coupling. The molecule has been found to have a (5fphi)(7s), (3)Phi(2u), ground state. The lowest state of gerade symmetry,( 3)H(4g), corresponding to the electronic configuration (5f)(2) was found 3330 cm(-1) above the ground state. The computed energy levels and oscillator strengths were used for the assignment of the experimental spectrum in the energy range 17,000-19,000 and 27,000-32,000 cm(-1).
authors.affiliation: Dipartimento di Chimica Fisica F. Accascina, Viale delle Scienze - Parco d'Orleans II, I-90128 Palermo, Italy. laura.gagliardi@unipa.it
authors.forename: Laura
authors.initials: L
authors.lastname: Gagliardi
authors.forename: Michael C
authors.initials: MC
authors.lastname: Heaven
authors.forename: Jesper Wisborg
authors.initials: JW
authors.lastname: Krogh
authors.forename: Björn O
authors.initials: BO
authors.lastname: Roos