Theoretical studies of the electronic spectrum of SiC+

Ab initio based multireference singles and doubles configuration interaction calculations have been carried out to study the electronic structure and spectroscopic properties of the SiC+ ion. Potential energy curves and spectroscopic constants (re, Te, ωe) of 14 low-lying doublet and quartet states of the ion are studied. The spin-orbit coupling has been included to see its effects on the spectroscopic properties. Transition probabilities of some quartet–quartet transitions are computed, while the spin-forbidden transitions are very weak. Dipole moments of all low-lying states are estimated by keeping the origin at the center of mass. The vertical and adiabatic ionization energies of SiC are also reported.