A theoretical characterization of the ground state of LiC, LiC+and LiC−

Potential energy curves, dipole moment functions and spectroscopic constants for the ground state of LiC, LiC+and LiC−are reported using a multireference configuration interaction approach. The core–valence correlation effects in the properties were also investigated. For the first time, the adiabatic ionization potential and the electronic affinity of LiC were calculated including core–valence effects and found to be 7.73 and 0.23eV, respectively.