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Rodrigo Araújo Mendes

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Open access Sep 2026

Primary Role of Semi-Local and Exact-Exchange Difference in the Description of Correlation Effects in Hybrid Functionals

Hybrid density functional approximations are among the most widely used electronic-structure methods, yet the physical origin of their representation of correlation effects remains incompletely understood. In this work, we analyze correlation in hybrid functionals from the perspectives of Kohn–Sham exchange–correlati...

V. Kumar, Szymon Ṡmiga, Rodrigo Araújo Mendes et al. · 0 citations

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