NEARLY-DEGENERATE ELECTRONIC STATES FOR GA3P2 AND GA2P3

Nearly-degenerate (2)A(1) and B-2(1)(C-2y) electronic states are found with distorted trigonal bipyramid and edge-capped tetrahedral geometr ies together with E(D-3h) state for Ga3P2, while a distorted structure with B-2(1) symmetry and a (2)A''(2) undistorted D-3h structure are f ound to be nearly-degenerate for Ga2P3. We employ the complete active space multi-configuration self-consistent field followed by multi-refe rence singles + doubles configuration interaction (MRSDCI) computation s that included up to 2.5 million configurations.