Comments on the KKR Wavefunctions; Extension of the Spherical Wave Expansion beyond the Muffin Tins

Abstract

The solution of Schrödinger’s equation for an assembly of non-overlapping muffin-tin potentials may be constructed in terms of Linear Combinations of — suitably chosen — Muffin Tin Orbitals (LCMTO). For the special case of a perfect crystal this leads to the well-known KKR equations.^1,2,3 We hope to demonstrate that this approach, which bears some resemblance to the original work of Korringa¹, gives a better insight into the properties of the wavefunctions than does the more popular green’s-function formalism introduced by Kohn and Rostoker.^2,3,4