Use of general potentials in multiple-scattering theory

Abstract

A mathematically transparent derivation of the multiple-scattering equations valid for a general non-muffin-tin potential, as applied to clusters of atoms with and without a surrounding outer sphere, is presented. These equations are shown to be a natural generalization of the analogous equations valid for muffin-tin potentials. An expression for the photoabsorption and electron scattering cross section in the framework of the multiple-scattering theory valid for a general potential is derived for what may be the first time, providing the necessary generalization for the similar expression valid in the muffin-tin case. A connection with the Green-function approach to the problem is also established via a generalized optical theorem.