LiH potential energy curves for ground and excited states with the free complement local Schrِdinger equation method

The two lowest singlet and triplet Σ+ potential energy curves of LiH were calculated using the free complement (FC) local Schrödinger equation (LSE) method. The overall potential curves and the properties calculated therefrom, like equilibrium bond length, dissociation energy, adiabatic and vertical excitation energies, zero point energy, vibrational spacings, etc., demonstrated the high accuracy of the FC LSE method for both the ground and excited states in comparison to the reference calculations and experiments.