activity
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

collaborators
Showing 2020Show all

1 paper · 1 filter

cond-mat.mtrl-sci2020★ 67 cited

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

Alexey Tal, Peitao Liu, Georg Kresse +1

We investigate optical absorption spectra obtained through time-dependent density functional theory (TD-DFT) based on nonempirical hybrid functionals that are designed to correctly…