Symmetry-adapted-cluster configuration interaction study of the doublet states of HCl+: potential energy curves, dipole moments, and transition dipole moments.

The electronic structure of the HCl(+) molecular ion has been calculated using the general-R symmetry-adapted-cluster configuration interaction (SAC-CI) method. The authors present the potential energy curves, dipole moments, and transition dipole moments for a series of doublet states. The data are compared with the previous CASSCF and MCSCF calculations.