192 citations · 363 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2016★ 169 cited
Cubic scaling : towards fast quasiparticle calculations
Peitao Liu, Merzuk Kaltak, Jiří Klimeš +1
Within the framework of the full potential projector-augmented wave methodology, we present a promising low-scaling implementation. It allows for quasiparticle calculations wi…
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…
physics.chem-ph2009★ 2 cited
Chemical accuracy for the van der Waals density functional
J. Klimes, D. R. Bowler, A. Michaelides
The non-local van der Waals density functional (vdW-DF) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)] is a very promising scheme for the efficient treatment of dispersion bon…