International Tables for Crystallography
| GNXAS. I. Phase shifts and signal calculations International Tables for Crystallography (2024). Vol. I [ doi:10.1107/S1574870720003286 ] Abstract Fundamental aspects related to the calculation of phase shifts and XAFS signals in the PHAGEN and GNXAS programs in the GNXAS package are reviewed. The strategies behind multiple-scattering series and decomposition into irreducible n-body signals are illustrated. The main strengths of the codes and the input/output data flow facilitated by the CRYMOL and GNPEAK programs are described. |
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About International Tables for Crystallography
International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.