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Scheme to Calculate Core Hole-Electron Interactions in Solids

Published

Author(s)

J A. Soininen, Eric L. Shirley

Abstract

We present a first-principles scheme for calculating a core-hole potential for core electron excitations. The scheme incorporates atomic and solid-state screening in the description of core excitations in several materials.We compare the results calculated using our scheme to experimental x-ray absorption and inelastic scattering spectra.
Citation
Physical Review B (Condensed Matter and Materials Physics)
Volume
64
Issue
No. 16

Keywords

absorption, atomic screening, core hole, first-principles, scattering, screening, solid-state screening, x-ray

Citation

Soininen, J. and Shirley, E. (2001), Scheme to Calculate Core Hole-Electron Interactions in Solids, Physical Review B (Condensed Matter and Materials Physics), [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=841536 (Accessed April 21, 2024)
Created September 30, 2001, Updated October 12, 2021