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cond-mat.mtrl-sci2012★ 51 cited
Precise response functions in all-electron methods: Application to the optimized-effective-potential approach
Markus Betzinger, Christoph Friedrich, Andreas Görling +1
The optimized-effective-potential (OEP) method is a special technique to construct local Kohn-Sham potentials from general orbital-dependent energy functionals. In a recent publica…
cond-mat.mtrl-sci2010★ 62 cited
Hybrid functionals within the all-electron FLAPW method: implementation and applications of PBE0
Markus Betzinger, Christoph Friedrich, Stefan Blügel
We present an efficient implementation of the PBE0 hybrid functional within the full-potential linearized augmented-plane-wave (FLAPW) method. The Hartree-Fock exchange term, which…