Ab initio study on the potential energy surfaces of NCO2+

- The potential curves of low-lying states of NCO2+ are given by CASSCF calculation.
- Some regions of crossings, avoided crossings and conical intersections are pointed.
- NCO2+ (X 2Π, a 4Σ−) is metastable and the major dissociation channel is assigned.
- Pre-dissociation processes may occur in the electronic states lying at 3-8 eV.
- The electronic states above 8 eV are repulsive.