The electronic spectrum of the UO2 molecule.
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).
Gagliardi
Laura
L
Dipartimento di Chimica Fisica F. Accascina, Viale delle Scienze - Parco d'Orleans II, I-90128 Palermo, Italy. laura.gagliardi@unipa.it
Heaven
Michael C
MC
Krogh
Jesper Wisborg
JW
Roos
Björn O
BO