Absorption in the model of self-consistent X-ray scattering
نویسندگان
چکیده
منابع مشابه
Self-consistent aspects of x-ray absorption calculations.
We implemented a self-consistent, real-space x-ray absorption calculation within the FDMNES code. We performed the self-consistency within several schemes and identified which one is the most appropriate. We show a method that allows a rigorous setting of the Fermi level and thus an estimation of the energy cutoff for the identification and elimination of the occupied states. We investigated wh...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 1996
ISSN: 0108-7673
DOI: 10.1107/s0108767396079482