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 April 23, 2024)
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Ab Initio Inclusion of Electron-Hole Attraction: Application to X-Ray Absorption and Resonant Inelastic X-Ray Scattering
Published
Author(s)
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
Pub Type
Journals
Keywords
resonant inelastic x-ray scattering (RIX, x-ray absorption (XAS)
Citation
Created January 1, 1998, Updated June 2, 2021