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 (r_e, T_e, ω_e) 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.