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.

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

F. Iesari;A. Trapananti;M. Minicucci;A. Di Cicco
2018-01-01

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.
2018
978-3-319-73811-6
268
File in questo prodotto:
File Dimensione Formato  
429591_1_En_8_Chapter_OnlinePDF.PDF

solo gestori di archivio

Descrizione: pdf
Tipologia: Documento in Post-print
Licenza: NON PUBBLICO - Accesso privato/ristretto
Dimensione 1.12 MB
Formato Adobe PDF
1.12 MB Adobe PDF   Visualizza/Apri   Richiedi una copia

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11581/411069
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 8
  • ???jsp.display-item.citation.isi??? ND
social impact