Ab initio CI calculation of spectroscopic constants of the ground and electronically excited states of CN^-

Abstract

Ab initio configuration interaction calculations have been carried out for the ground state (¹Σ) and for two excited states (¹Π and ³Π) of CN^-. The calculated energies of T_e = 56 423 cm^-1 and 47 470 cm^-1 for the ¹Π and ³Π states are in reasonable agreement with the solid state values. Spectroscopic constants, static and transition dipole moments and Franck-Condon factors have been derived and compared with available solid state experimental data.