Green function approach for the ab initio calculation of the optical and magneto-optical properties of solids:  Accounting for dynamical many-body effects

An approach for the calculation of the optical and magneto-optical properties of solids based on the one-particle Green function is introduced in the framework of the linear muffin-tin orbital method. The approach keeps all advantages of the more accurate Korringa-Kohn-Rostoker scheme as the possibility to account for many-body effects in terms of the nonlocal energy dependent self-energy but is numerically much more efficient. Application of various proposed model self-energies for the calculation of the optical properties of bulk Ni and Fe demonstrates the great potential of the new scheme.