Skip to main content
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.

Ab Initio Inclusion of Electron-Hole Attraction: Application to X-Ray Absorption and Resonant Inelastic X-Ray Scattering

Published

Author(s)

Eric L. Shirley

Abstract

This work demonstrates a numerically feasible, yet realistic, calculational method for incorporating electron-core-hold interactions (Core-hole effects) in the Bethe-Salpeter equation in solids, without recourse to tight-binding or analogous basis-set approximations. The method includes ab initio treatments of separate electron and hole dynamics and electron-hole interactions. The method is used to treat x-ray absorption (XAS), resonant inelastic x-ray scattering (RIXS), and core-hold excitons. Materials studied include LIF, NaF, KF graphite, diamond, and h-BN.
Citation
Physical Review Letters
Volume
80
Issue
No. 4

Keywords

resonant inelastic x-ray scattering (RIX, x-ray absorption (XAS)

Citation

Shirley, E. (1998), Ab Initio Inclusion of Electron-Hole Attraction: Application to X-Ray Absorption and Resonant Inelastic X-Ray Scattering, Physical Review Letters (Accessed June 14, 2024)

Issues

If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.

Created January 1, 1998, Updated June 2, 2021