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Core-hole potentials and related effects



Eric L. Shirley, Lars G. Pettersson, D. Prendergast


We consider the constrained-occupancy and (linear-response) self-consistent-field methods for screening of core-hole potentials that affect core excitation near-edge spectra. The methods are not exact, but each has distinct advantages and limitations. The excitation spectra to which we refer include x-ray absorption spectroscopy (XAS), electron energy-loss spectroscopy (EELS), and non-resonant inelastic x-ray scattering (NRIXS). The screening of interactions that arises is always accompanied by self-energy or lifetime-damping effects of electron and hole states, which we also discuss briefly.
International Tables for Crystallography: Volume I, X-ray Absorption Spectroscopy
Publisher Info
Internation Union of Crystallography, Chester,


Bethe-Salpeter equation, BSE, excited-electron plus core hole, FCH, non-resonant inelastic x-ray scatter, NRIXS, screening, StoBE, XAS, XCH, x-ray absorption, x-ray Raman scattering


Shirley, E. , Pettersson, L. and Prendergast, D. (2022), Core-hole potentials and related effects, International Tables for Crystallography: Volume I, X-ray Absorption Spectroscopy, Internation Union of Crystallography, Chester, , [online], (Accessed June 16, 2024)


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Created January 12, 2022, Updated February 23, 2022