Calculation of the Magnetic Properties of d and f Transition Metal Complexes in Terms of the Angular Overlap Model

摘要

The theory of the electronic structures and magnetic properties of mononuclear complexes of d and f transition metals was developed in a complete basis set of products of one-electron functions with the use of the parametrization adopted in the angular overlap model.It was demonstrated that the theory describes well the temperature dependences of the magnetic susceptibilities of these complexes and allows estimation of their detailed electronic structures.