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

Abstract

This contribution presents some developments of the gnxas methodology and suite of programs, providing full analysis of raw experimental XAS data through advanced multiple-scattering simulations. The main features of the gnxas suite of programs, including the basic theoretical background based on an n-body expansion of the x-ray absorption cross section, as well as useful information about the gnxas flow diagram and practical usage are reviewed. The new gnxas graphical interface w-gnxas is specifically illustrated. The recent implementation of Reverse Monte Carlo algorithms allowing for multiatomic structural refinement into the rmc-gnxas package is also presented in detail with specific examples.

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Copyright information

© Springer International Publishing AG, part of Springer Nature 2018

Authors and Affiliations

  • Fabio Iesari
    • 1
    • 3
  • Keisuke Hatada
    • 3
  • Angela Trapananti
    • 1
    • 2
  • Marco Minicucci
    • 1
  • Andrea Di Cicco
    • 1
  1. 1.Physics Division, School of Science and TechnologyUniversity of CamerinoCamerino (MC)Italy
  2. 2.Istituto Officina dei Materiali (IOM)Consiglio Nazionale delle Ricerche (CNR)PerugiaItaly
  3. 3.Faculty of ScienceUniversity of ToyamaToyamaJapan

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