most citedHybrid functionals within the all-electron FLAPW method: implementation and applications of PBE0

62 citations · 62 across the 1 of their papers we have counts for

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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…