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KKR Green’s Function Method in Reciprocal and Real Space

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Multiple Scattering Theory for Spectroscopies

Part of the book series: Springer Proceedings in Physics ((SPPHY,volume 204))

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Abstract

The Korringa–Kohn–Rostoker (KKR) method is a very flexible band structure technique which is based on the multiple scattering formalism. In contrast to many other band structure methods, which are based on a representation of the electronic structure in terms of Bloch wave functions, the KKR method represents the properties of solids in terms of Green’s functions. In this chapter we demonstrate the flexibility of the KKR method as a tool to describe spectroscopic aspects such as x-ray absorption spectra theory and one-step model of photoemission.

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Acknowledgements

We thank the DFG for financial support via Ebe154/32-1, BMBF (05K16WMA) and to the COST action MP1306 EUSpec for travel grants. JM was supported by the CEDAMNF project (CZ.02.1.01/0.0/0.0/15_003/0000358), co-funded by the ERDF as part of the OP RDE program of the Ministry of Education, Youth and Sports (Czech Republic). OS would like to acknowledge support by the GACR (project 17-14840S).

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Authors and Affiliations

  1. New Technologies-Research Center, University of West Bohemia, Univerzitní 8, 306 14, Plzeň, Czech Republic

    Ján Minár

  2. Institute of Physics, Czech Academy of Sciences, Cukrovarnicka 10, 162 53, Praha 6, Czech Republic

    Ondřej Šipr

  3. Department Chemie, Ludwig-Maximilians-Universität München, Butenandtstraße 11, 81377, Munich, Bavaria, Germany

    Jürgen Braun & Hubert Ebert

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Correspondence to Ján Minár .

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  1. Institut de Physique de Rennes (IPR), Univ Rennes, CNRS, UMR 6251, Rennes, France

    Didier Sébilleau

  2. Department Chemie, Ludwig-Maximilians-Universität München, Munich, Bavaria, Germany

    Keisuke Hatada

  3. Department Chemie, Ludwig-Maximilians-Universität München, Munich, Bavaria, Germany

    Hubert Ebert

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Minár, J., Šipr, O., Braun, J., Ebert, H. (2018). KKR Green’s Function Method in Reciprocal and Real Space. In: Sébilleau, D., Hatada, K., Ebert, H. (eds) Multiple Scattering Theory for Spectroscopies. Springer Proceedings in Physics, vol 204. Springer, Cham. https://doi.org/10.1007/978-3-319-73811-6_4

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