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ENTITY ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation

ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation

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  1. RESEARCH · CL_22289 ·

    AI agents discover new density functionals, improving accuracy by 9%

    An AI agent has discovered a new exchange-correlation functional, SAFS26-a, which improves accuracy by 9% over the previous standard in quantum chemistry. Separately, a new algorithm called BALAR, a Bayesian Agentic Loo…