STUDIES ON THE GROUND AND EXCITED-STATES OF NH2 BY SAC-CI AND TOPOLOGICAL METHOD

The ground state (B-2(1)) and excited states ((2)A(1), B-2(2)) of NH2 were investigated by SAC-CI method, The potential surface of the secon d excited state (B-2(2)) and the equilibrium geometry of this state we re obtained. The topological properties of density super-surface of th e states were discussed, from which the bond angle increasing and decr easing as the excitation form ground state to excited states ((2)A(1), B-2(2)) were discussed also. Having a del type bond structure, the di ssociation of the equilibrium geometry of (B-2(2)) state should be as the way of separation of H-2 and N.