An ab initio study of the ground and low-lying excited states of the permanganate ion

The results of ab-initio self-consistent field calculations for the ground state and configuration interaction calculations for the excited states of the permanganate ion are presented and discussed. The calculations were performed using two large basis sets of contracted gaussian functions, and singly excited configurations were used in the calculations of the excited states. Fair agreement is obtained between these results and the experimental absorption spectra.