International Tables for Crystallography
| exciting core-level spectroscopy International Tables for Crystallography (2020). Vol. I [ doi:10.1107/S1574870720003341 ] Abstract 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 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.