A bound-state CI approach to nitrogen molecular anions

Abstract

We report results of ab initio MRDCI calculations on the doublet states of different spatial symmetry of the nitrogen molecular anion. The computed ground-state potential as well as the lowest potential curve of were calculated over a broad range of internuclear distances. Several other resonant states of have been determined at two different internuclear distances by a stabilization procedure. To our knowledge, some of the excited-state resonances which we found have not yet been reported in the literature. After applying the stabilization method with gradually increased nuclear charges to all of the calculated anion states we conclude that, despite the appearance of many `spurious states', the positions of the shape resonance of symmetry, of three Feshbach resonances of symmetry and of two of symmetry have been identified.