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20072024
most citedVan der Waals density functionals applied to solids

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cond-mat.mtrl-sci2014★ 50 cited

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…