Accurate optical spectra through time-dependent density functional theory based on screening-dependent hybrid functionals

We investigate optical absorption spectra obtained through time-dependent density functional theory (TD-DFT) based on nonempirical hybrid functionals that are designed to correctly reproduce the dielectric function. The comparison with state-of-the-art GW calculations followed by the solution of the...

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Bibliographic Details

Published in:	Physical Review Research
Main Authors:	Alexey Tal, Peitao Liu, Georg Kresse, Alfredo Pasquarello
Format:	Article
Language:	English
Published:	American Physical Society 2020-07-01
Online Access:	http://doi.org/10.1103/PhysRevResearch.2.032019