A relativistic TDDFT approach using 4c and amfX2C Hamiltonians accurately computes RIXS spectra for heavy elements and matches experimental data for Ru and U complexes.
Accurate X-ray Absorp- tion Spectra near L- and M-Edges from Relativistic Four-Component Damped Response Time-Dependent Density Functional Theory.Inorg
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Toward Accurate RIXS Spectra at Heavy Element Edges: A Relativistic Four-Component and Exact Two-Component TDDFT Approach
A relativistic TDDFT approach using 4c and amfX2C Hamiltonians accurately computes RIXS spectra for heavy elements and matches experimental data for Ru and U complexes.