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Multiple Scattering Theory for Spectroscopies

A Guide to Multiple Scattering Computer Codes -- Dedicated to C. R. Natoli on the Occasion of his 75th Birthday

  • Conference proceedings
  • © 2018

Overview

Editors:
  1. Didier Sébilleau

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

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  2. Keisuke Hatada

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

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  3. Hubert Ebert

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

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

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Table of contents (30 papers)

  1. Front Matter

    Pages i-xxvii
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  2. Basic knowledge

    1. Front Matter

      Pages 1-2
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    2. Introduction to (Multiple) Scattering Theory

      • Didier Sébilleau
      Pages 3-34

    3. Generating Phase-Shifts and Radial Integrals for Multiple Scattering Codes

      • Calogero R. Natoli, Didier Sébilleau
      Pages 35-65

    4. Real Space Full Potential Multiple Scattering Theory

      • Keisuke Hatada, Calogero R. Natoli
      Pages 67-91

    5. KKR Green’s Function Method in Reciprocal and Real Space

      • Ján Minár, Ondřej Šipr, Jürgen Braun, Hubert Ebert
      Pages 93-142

    6. Multichannel Multiple Scattering Theory in R-Matrix Formalism

      • Peter Krüger
      Pages 143-169

    7. Multiple Scattering in Green’s Function Formalism: Single-Channel and Multichannel Versions

      • Anna Taranukhina, Alexander Novakovich, Calogero R. Natoli, Ondřej Šipr
      Pages 171-196

    8. MXAN and Molecular Dynamics: A New Way to Look to the XANES (X-ray Absorption Near Edge Structure) Energy Region

      • Maurizio Benfatto, Elisabetta Pace, Nico Sanna, Cristiano Padrin, Giovanni Chillemi
      Pages 197-219

    9. gnxas: Advances in the Suite of Programs for Multiple-Scattering Analysis of X-ray Absorption Data

      • Fabio Iesari, Keisuke Hatada, Angela Trapananti, Marco Minicucci, Andrea Di Cicco
      Pages 221-256

  3. Extended knowledge

    1. Front Matter

      Pages 257-258
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    2. (e,2e) Impact Ionization Processes for Surface Science

      • Rakesh Choubisa, Didier Sébilleau, Junqing Xu, Calogero R. Natoli
      Pages 259-264

    3. Layer-Resolved Photoemission Study of Doped Ag-Supported Ultrathin MgO Films

      • Thomas Jaouen
      Pages 265-274

    4. es2ms: Interface from Electronic Structure Codes to Multiple Scattering Codes

      • Naoki Komiya, Fukiko Ota, Junqing Xu, Keisuke Hatada
      Pages 275-282

    5. L-Edge Absorption and Dichroism in Low Symmetry \(3d^0\) Compounds

      • Peter Krüger, Calogero R. Natoli
      Pages 283-288

    6. Multichannel L-Absorption Calculations by Analytical Continuation of Green’s Function into Complex Energy Plane

      • Anna Taranukhina, Alexander Novakovich, Vladislav Kochetov
      Pages 289-294

    7. Ballistic Electron Emission Microscope by Real Space Multiple Scattering Theory

      • Keisuke Hatada, Didier Sébilleau
      Pages 295-300

    8. Fully Relativistic Multiple Scattering Calculations for General Potentials

      • Hubert Ebert, Jürgen Braun, Sergiy Mankovsky
      Pages 301-306

    9. Relativistic Effects and Gauge Invariance in Photon Absorption and Scattering

      • Nadejda Bouldi, Christian Brouder
      Pages 307-312

    10. Towards Accurate and Large-Scale Density-Functional Calculations with the Korringa–Kohn–Rostoker Method

      • Rudolf Zeller
      Pages 313-317
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Keywords

About this book

This edited book, based on material presented at the EU Spec Training School on Multiple Scattering Codes and the following MSNano Conference, is divided into two distinct parts. The first part, subtitled “basic knowledge”, provides the basics of the multiple scattering description in spectroscopies, enabling readers to understand the physics behind the various multiple scattering codes available for modelling spectroscopies. The second part, “extended knowledge”, presents “state- of-the-art” short chapters on specific subjects associated with improving of the actual description of spectroscopies within the multiple scattering formalism, such as inelastic processes, or precise examples of modelling.

Editors and Affiliations

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

    Didier Sébilleau

  • Department Chemie, Ludwig-Maximilians-Universität München, Munich, Bavaria, Germany

    Keisuke Hatada, Hubert Ebert

Bibliographic Information

  • Book Title: Multiple Scattering Theory for Spectroscopies

  • Book Subtitle: A Guide to Multiple Scattering Computer Codes -- Dedicated to C. R. Natoli on the Occasion of his 75th Birthday

  • Editors: Didier Sébilleau, Keisuke Hatada, Hubert Ebert

  • Series Title: Springer Proceedings in Physics

  • DOI: https://doi.org/10.1007/978-3-319-73811-6

  • Publisher: Springer Cham

  • eBook Packages: Physics and Astronomy, Physics and Astronomy (R0)

  • Copyright Information: Springer International Publishing AG, part of Springer Nature 2018

  • Hardcover ISBN: 978-3-319-73810-9Published: 06 April 2018

  • Softcover ISBN: 978-3-030-08860-6Published: 22 December 2018

  • eBook ISBN: 978-3-319-73811-6Published: 05 April 2018

  • Series ISSN: 0930-8989

  • Series E-ISSN: 1867-4941

  • Edition Number: 1

  • Number of Pages: XXVII, 401

  • Number of Illustrations: 37 b/w illustrations, 72 illustrations in colour

  • Topics: Spectroscopy and Microscopy, Numerical and Computational Physics, Simulation, Surface and Interface Science, Thin Films

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