Excited electronic states of O2/-/.
Configuration interaction (CI) variational trial functions (which assure formally correct dissociation) and the single-configuration self-consistent-field approximation are applied to the calculation of the excited electronic states of the negatively charged oxygen molecule. The energy curves and wave functions of these states are analyzed. All the excited states are found to have equilibrium-internuclear separations at least 1 a.u. larger than the ground state. The two lowest energy states are characterized, respectively, as shape and valence Feshbach resonances.
Krauss, M.↗