It is shown that the scattering matrix in the form describing multiple-scattering processes for collections of muIIln-tin (MT) potentials is rigorously valid for nonoverlapping potentials of arbitrary shape. In particular, the near-field corrections (NFC's) ostensibly arising in the latter case are shown to vanish identically. It follows that the well-known method of Korringa and of Kohn and Rostoker for calculating electronic structure is valid for non-MT potentials. Model calculations illustrating directly the vanishing of NFC's and a calculation for elemental Nb are presented and the eH'ects of convergence in such calculations are discussed.
Proof is provided that the secular equation proposed by Korringa, Kohn, and Rostoker for determining the electronic structure of collections of mufFin-tin potentials, i.e. , potentials bounded by nonoverlapping spheres, remains valid in the completely general case of nonoverlapping, arbitrarily shaped, and particularly space-filling potential cells. Consequently, this secular equation leads to the proper coefBcients for determining the wave function of the system as a linear combination of cell wave functions.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.