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TD-DFT Simulations of K-edge Resonant Inelastic X-ray Scattering within the Restricted Subspace Approximation
2020
Physical Chemistry, Chemical Physics - PCCP
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A scheme for simulations of resonant inelastic X-ray scattering (RIXS) cross-sections within time-dependent density functional theory (TD-DFT) applying the restricted subspace approximation (RSA) is presented. Therein both occupied core and...
doi:10.1039/d0cp04726k
pmid:33103173
fatcat:xo42ymyrxbhxxb6rvxqnjpy34y