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Orthogonally Constrained CASSCF Framework: Newton-Raphson Orbital Optimization and Nuclear Gradients

Fuente: arXiv

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Dettagli Bibliografici
Autori principali:	Delafosse, Loris, Robert, Vincent, Yalouz, Saad
Natura:	Preprint
Pubblicazione:	2026
Soggetti:	Chemical Physics Quantum Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

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