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A full potential Korringa-Kohn-Rostoker Green’s function (fKKR-Gf) method: A total energy calculation of niobium

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Metallic Alloys: Experimental and Theoretical Perspectives

Part of the book series: NATO ASI Series ((NSSE,volume 256))

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Abstract

Using only the angular momentum representation a full potential all electron method for the calculation of the electronic structure, solution of Poisson’s equation, and the total energy of ordered and disordered metals and alloys is presented within the multiple scattering theory. The method is applied to niobium and gives excellent agreement with other calculations and experiments.

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Author information

Authors and Affiliations

  1. Laboratorium für Festkörperphysik, ETH Zürich, Switzerland

    G. H. Schadler

  2. Center of Materials Science, Los Alamos National Laboratory, USA

    G. H. Schadler

Authors
  1. G. H. Schadler
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Editor information

Editors and Affiliations

  1. Alloy Research Center, Department of Physics, Florida Atlantic University, Boca Raton, Florida, USA

    J. S. Faulkner  & R. G. Jordan  & 

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© 1994 Springer Science+Business Media Dordrecht

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Schadler, G.H. (1994). A full potential Korringa-Kohn-Rostoker Green’s function (fKKR-Gf) method: A total energy calculation of niobium. In: Faulkner, J.S., Jordan, R.G. (eds) Metallic Alloys: Experimental and Theoretical Perspectives. NATO ASI Series, vol 256. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-1092-1_48

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  • DOI: https://doi.org/10.1007/978-94-011-1092-1_48

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-4477-6

  • Online ISBN: 978-94-011-1092-1

  • eBook Packages: Springer Book Archive

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