Skip to main content

NOTICE: Due to a lapse in annual appropriations, most of this website is not being updated. Learn more.

Form submissions will still be accepted but will not receive responses at this time. Sections of this site for programs using non-appropriated funds (such as NVLAP) or those that are excepted from the shutdown (such as CHIPS and NVD) will continue to be updated.

U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

Core-hole potentials and related effects

Published

Author(s)

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

Abstract

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.
Citation
International Tables for Crystallography: Volume I, X-ray Absorption Spectroscopy
Publisher Info
Internation Union of Crystallography, Chester,

Keywords

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

Citation

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], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=927466 (Accessed October 9, 2025)

Issues

If you have any questions about this publication or are having problems accessing it, please contact [email protected].

Created January 12, 2022, Updated February 23, 2022
Was this page helpful?