International Tables for Crystallography

exciting core-level spectroscopy
Claudia Draxl and Caterina Cocchi. International Tables for Crystallography (2020). Vol. I [ doi:10.1107/S1574870720003341 ]


An ab initio approach is delineated for obtaining X-ray absorption spectra as provided by many-body perturbation theory, together with its realization within an all-electron framework. Employing the Bethe–Salpeter equation, excitations from different absorption edges in a broad range of material classes are addressed, analysing exciton binding strengths and character. Situations in which the supercell core-hole approach is likely to fail are also discussed.

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About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The series consists of nine volumes and 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.