Theory and convergence properties of the screened Korringa-Kohn-Rostoker method

R. Zeller, P. H. Dederichs, B. Ujfalussy, L. Szunyogh, P. Weinberger

Research output: Article

234 Citations (Scopus)

Abstract

Within the framework of the generalized multiple-scattering theory, a conceptually clear and transparent derivation of the real-space screened Korringa-Kohn-Rostoker method is presented. It is suggested that, by a suitable choice of the reference system, a fast exponential spatial decay of the structure constants can be obtained. This opens the way to treat large-scale systems in real space with a computational complexity that scales more favorably than the usual increase with the third power of the number of atoms.

Original languageEnglish
Pages (from-to)8807-8812
Number of pages6
JournalPhysical Review B
Volume52
Issue number12
DOIs
Publication statusPublished - jan. 1 1995

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ASJC Scopus subject areas

  • Condensed Matter Physics

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