489 citations · 1.3k across the 17 of their papers we have counts for
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cond-mat.mtrl-sci2014★ 192 cited
Predictive GW calculations using plane waves and pseudopotentials
Jiří Klimeš, Merzuk Kaltak, Georg Kresse
We show that quasiparticle (QP) energies as calculated in the approximation converge to the wrong value using the projector augmented wave (PAW) method, since the overlap inte…
cond-mat.str-el2014★ 489 cited
A direct view at excess electrons in TiO rutile and anatase
Martin Setvin, Cesare Franchini, Xianfeng Hao +6
A combination of Scanning Tunneling Microscopy/Spectroscopy and Density Functional Theory (DFT+U) is used to characterize excess electrons in TiO rutile and anatase, two protot…