Scaling coulomb interaction in calculation on electron spectra of transition metal complexes

A simple method of scaling two-electron integrals in ab initio calculations of electron-excited states of transition metal complexes is suggested. The method is based on the assumption that in the course of scale transformations of the Slater type functions one-center two-electron integrals depend linearly on the scaling multiplier. It results in linear dependence of d-d transitions energy on the scale of the Coulomb interaction, permitting effective influence on the calculation results by varying the Slater exponent. Ab initio calculations of lower excited states of CrF63-, MnF62- and VF63- complexes by the methods of configurational interaction and complete active space are made in order to verify the method discussed