Exchange interaction between ions in excited orbitally degenerate states

Abstract

A recently developed theory for exchange interactions is applied to singly and doubly excited states of Cr2X~-. The present approach is compared with a different theoretical model, which has been widely used to discuss exchange interactions in excited states of transition metal dimers. The comparison of the two theories is elaborated in a general form and illustrated for the specific example of Cr2X9 3-. While significant differences exist between the two theories, they agree for the singly excited states of Cr2X~-. However, large differences exist for doubly excited states.