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Sponsored AI Networking Cookbook: Practical recipes for AI-assisted network automation and development AI Networking Cookbook: Practical recipes for AI-assisted network automation and development

Author

R. J. Bartlett

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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
Preprint Sep 2026

A note on the accuracy of spin-densities from Kohn-Sham Density Functional Theory

Quantifying the magnetic properties of open-shell molecules is a common task in chemistry and is increasingly performed in silico using Kohn-Sham density functional theory (KS-DFT). Previous work demonstrates that the predictive accuracy of a few functionals for one such property - hyperfine coupling constants (HFCCs)...

R. A. Mendes, Z. W. Windom, A. Perera et al. · 0 citations

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