TD-DFT simulations of K-edge resonant inelastic X-ray scattering within the restricted subspace approximation
نویسندگان
چکیده
Truncation of orbital subspaces in TD-DFT yields an accurate description RIXS spectra for soft X-ray K-edges.
منابع مشابه
Anisotropy of Resonant Inelastic X-Ray Scattering at the K Edge of Si: Theoretical Analysis
We investigate theoretically the resonant inelastic x-ray scattering (RIXS) at the K edge of Si with systematically varying transfered-momenta, incident-photon energy and incidentphoton polarization. We confirm theoretically the anisotropy of a RIXS and provide a quantitative explanation of a experiment on RIXS at the K edge of Si (Y. Ma et al., Phys. Rev. Lett. 74, 478 (1995)). We clarify the ...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2021
ISSN: ['1463-9076', '1463-9084']
DOI: https://doi.org/10.1039/d0cp04726k