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Comparing time-dependent density functional theory with many-body perturbation theory for semiconductors: Screened range-separated hybrids and the GW plus Bethe-Salpeter approach

Wing, Dahvyd ; Haber, Jonah B. ; Noff, Roy ; Barker, Bradford ; Egger, David A. ; Ramasubramaniam, Ashwin ; Louie, Steven G. ; Neaton, Jeffrey B. ; Kronik, Leeor


We present band structure and optical absorption spectra obtained from density functional theory (DFT) and linear response time-dependent DFT (TDDFT) calculations using a screened range-separated hybrid (SRSH) functional, including spin-orbit coupling, for seven prototypical semiconductors. The results are compared to those obtained from highly converged many-body perturbation theory calculations ...


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