688 citations · 7.1k across the 80 of their papers we have counts for
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The random phase approximation applied to ice
Markus Macher, Jiří Klimeš, Cesare Franchini +1
Standard density functionals without van der Waals interactions yield an unsatisfactory description of ice phases, specifically, high density phases occurring under pressure are to…
Kohn-Sham band gaps and potentials of solids from the optimised effective potential method within the random phase approximation
Jiří Klimeš, Georg Kresse
We present an implementation of the optimised effective potential (OEP) scheme for the exact-exchange (EXX) and random phase approximation (RPA) energy functionals and apply these…
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…
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…