Electronic states and potential energy curves of Ga2P, GaP2, and their ions

Five low-lying electronic states of GaP2 and GaP2+, and seventeen electronic states of Ga2P and Ga2P+ are studied using the complete active space multi-configuration self-consistent field followed by multi-reference singles + doubles configuration interaction (MRSDCI) computations. Potential energy curves of the low-lying electronic states of these species are determined. Geometries, energy separations of these electronic states and the adiabatic ionization energies of Ga2P and GaP2 are computed.