SAC-CI study of a series of the lowest states of HCl~+

摘要

The symmetry-adapted-cluster configuration interaction (SAC-CI) method used for calculation of electronic structure of HCl~+ molecular ion. Potential energy curves and dipole moments are obtained for a series of low-lying states and transition dipole moments are evaluated from the ground X~2Π state. The various dependencies of dipole moments on distance reveal the corresponding asymptotics and interpreted as the two pathways of HCl~+ dissociation. The behavior of transition dipole moments shows the possibility of selective excitation of the different states leading to control of the dissociation pathways.