DOE OSTI · 3675723
Orbital Optimization of Large Active Spaces via AI-Accelerators
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Legeza, Örs (ORCID:0000000297465802), Menczer, Andor, Ganyecz, Ádám (ORCID:0000000288280283), Werner, Miklós, Kapás, Kornél, Hammond, Jeff (ORCID:0000000331818190), Xantheas, Sotiris (ORCID:0000000263031037), Ganahl, Martin, Neese, Frank. 2025-06-13. Orbital Optimization of Large Active Spaces via AI-Accelerators. https://doi.org/10.1021/acs.jctc.5c00571
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