A theoretical reinvestigation of the A 1∏u state of N22+ Original Research Article

A new, semi-empirically scaled potential energy surface for the A 1∏u state of N22+ has been developed based on spectroscopic constants and high level ab initio calculations. The scaled surface was used to determine the extent to which conventional ab initio methods underestimate barrier heights and widths of quasibound, diatomic, dication potential energy functions. It was also used to reinvestigate the dissociation dynamics of the A 1Πu state of N22+.