3 papers
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-sci2025
Finite-momentum dielectric function and excitonic effects from time-dependent density-functional theory with dielectrically screened hybrid functionals
Didarul Alam, Jiuyu Sun, Carsten A. Ullrich
This paper studies the performance of time-dependent density-functional theory (TDDFT) for calculating the dielectric function of semiconductors and insulators at finite momentum t…
cond-mat.mtrl-sci2024
Spin waves with source-free time-dependent spin density functional theory
Jenna L. Bologa, Carsten A. Ullrich
Time-dependent spin density functional theory (TD-SDFT) allows the theoretical description of spin and magnetization dynamics in electronic systems from first quantum mechanical pr…