Multiple-scattering theory beyond the Muffin-Tin approximation

Multiple-Scattering Theory Beyond The MutTm-Tin Approximation J. Molenaar Mathematics Consulting Department Katholieke Universiteit Toernooiveld 6525 ED Nijmegen We present a new derivation of multiple-scattering theory as applied in solid state physics. The present approach is a generalization of the well-known Korringa, Kohn and Rostoker (KKR) formalism and holds also in the case of overlapping potentials. Tbe resulting equations have the same structure as the KKR equations, except for extra energy integrations. It is shown that for non-overlapping potentials these integrations can be performed analytically. Then, they reduce to the KKR equations, in which all matrices are evaluated at one and the same energy . Tbe introduction of a Muffin-Tin potential appears to be not essential in this reduction. From this it is concluded that the so-called ''Near Field" corrections, introduced in previous papers dealing with non-Muffin-Tin potentials, can be ignored. §