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January 26, 1998Physical Review Letters230 citations

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

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ESEric L. Shirley

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Abstract

This work demonstrates a numerically feasible, yet realistic, calculational method for incorporating electron-core-hole 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.

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Eric L. Shirley (1998) studied this question.

synapsesocial.com/papers/6a20bb5cd91327052aa02405https://doi.org/10.1103/physrevlett.80.794
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