Theoretical study of SiC/WS2 layered heterojunction composite ceramics: Promoting ceramic process design

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

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Influence of the exchange screening parameter on the performance of screened hybrid functionals

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