Response to ‘‘non-muffin-tin band theories of the multiple-scattering type’’

Publisher Website
Google Scholar
Abstract
We respond to the preceding Comment by J. S. Faulkner by examining the convergence properties of functions used to represent solutions to Schrödinger’s equation in the context of Green’s-function band theory. Such evidence as exists on the subject is reviewed. The conclusion drawn is that the data presented in his comment are sufficient to conclude that ‘‘a large fraction of the errors caused by ignoring the non-muffin-tin parts of a potential can be eliminated by the simple expedient of including the nondiagonal parts of the scattering matrix.’’ However, the data presented do not warrant the conclusion that our theory is incorrect through the neglect or incorrect treatment of the ‘‘near field’’ or in any other manner. This is a question that must ultimately be resolved algebraically, but the data so far presented do not seem to be inconsistent with our theory being exact.