On the practical applicability of modern DFT functionals for chemical computations. Case study of DM21 applicability for geometry optimization

Fuente: arXiv

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Bibliographic Details
Main Authors:	Kulaev, Kirill, Ryabov, Alexander, Medvedev, Michael, Burnaev, Evgeny, Vanovskiy, Vladimir
Format:	Preprint
Published:	2025
Subjects:	Computational Physics Materials Science Artificial Intelligence
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2501.12149