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How Accurate Are DFT Forces? Unexpectedly Large Uncertainties in Molecular Datasets

Fuente: arXiv

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Détails bibliographiques
Auteurs principaux:	Kuryla, Domantas, Berger, Fabian, Csányi, Gábor, Michaelides, Angelos
Format:	Preprint
Publié:	2025
Sujets:	Chemical Physics
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

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