THEORETICAL-STUDY OF THE SPECTROSCOPY OF NO+

The spectroscopy of the NO+ molecule has been studied using multireference configuration-interaction calculations. The peak at 21.7 eV in the photoelectron spectrum of NO is assigned to the (2) 3Π state (c 3Π) and the vibrational progression centered at 23.1 eV is assigned to the diabatic (3) 1Π state (B 1Π). Several additional bound states with binding energies in excess of 1 eV are characterized in the present work. Radiative lifetimes are presented for many of the states. © 1990 American Institute of Physics.