CASSCF-CI potential curves of HCl2+

The CASSCF and contracted CI methods have been used to generate electronic wavefunctions and potential energy curves for the3Sigma-,1Delta and3Pi states of HCl2+. Calculations on the ground state of HCl at its equilibrium geometry and dissociation limit were performed and the vertical double ionisation energies were deduced. These results are compared with experimental results following recent PIPICO experiments. Molecular constants and predissociation rates for the3Sigma-and1Delta state, which both possess local minima above their dissociation limits, are given.