The theoretical character of the X 1 ∑ + and A 1 ∑ + states of ScN

This paper calculates the potential energy curves (PECs) of the ground state (X 1 § + ) and excited state (A 1 § + ) of ScN molecule by multireference conflguration interaction method. The correct character of the PECs has been gripped while they had been improperly reported in the literature. Based on the PECs, the spectroscopic parameters and vibrational energy levels are determined, and compared with experimental data and other theoretical works available at the present.