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cond-mat.mtrl-sci2025
Stability of the long-range corrected exchange-correlation functional and the Proca procedural functional in time-dependent density-functional theory
Jared R. Williams, Carsten A. Ullrich
Excitonic effects in the optical absorption spectra of solids can be described with time-dependent density-functional theory (TDDFT) in the linear-response regime, using a simple c…
cond-mat.mtrl-sci2020
Time-resolved exciton wave functions from time-dependent density-functional theory
Jared R. Williams, Nicolas Tancogne-Dejean, Carsten A. Ullrich
Time-dependent density-functional theory (TDDFT) is a computationally efficient first-principles approach for calculating optical spectra in insulators and semiconductors, includin…