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20142022
most citedAccurate optical spectra through time-dependent density functional theory based on screening-dependent hybrid functionals

67 citations · 171 across the 7 of their papers we have counts for

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Showing 2022Show all

2 papers · 1 filter

cond-mat.mtrl-sci2022

Core-hole excitations using the projector augmented-wave method and the Bethe-Salpeter equation

Martin Unzog, Alexey Tal, Georg Kresse

We present an implementation of the Bethe-Salpeter equation (BSE) for core-conduction band pairs within the framework of the projector augmented-wave method. For validation, the me…

cond-mat.mtrl-sci2022★ 58 cited

Accurate and efficient band-gap predictions for metal halide perovskites at finite temperature

Haiyuan Wang, Alexey Tal, Thomas Bischoff +2

We develop a computationally efficient scheme to accurately determine finite-temperature band gaps. We here focus on materials belonging to the class ABX3 (A = Rb, Cs; B = Ge, Sn,…