| Author | |
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| Keywords | |
| Abstract |
We present a formalism for the resonant inelastic X-ray scattering (RIXS) cross section. The resulting compact expression in terms of polarizability matrix elements, particularly lends itself to the implementation in an all-electron many-body perturbation theory (MBPT) framework, which is realized in the full-potential package exciting. With the carbon K edge RIXS of diamond and the oxygen K edge RIXS of β-Ga2O3, respectively, we demonstrate the importance of electron-hole correlation and atomic coherence in the RIXS spectra. |
| Year of Publication |
2022
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| Journal |
Phys. Chem. Chem. Phys.
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| Volume |
24
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| Number of Pages |
17439-17448
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| URL |
http://dx.doi.org/10.1039/D2CP00994C
|
| DOI |
10.1039/D2CP00994C
|
| Download citation |