Benchmarking semi-empirical quantum chemical methods on liquid water

Fuente: arXiv

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Bibliographic Details
Main Authors:	Wu, Xin, Elgabarty, Hossam, Alizadeh, Vahideh, Henao, Andres, Zysk, Frederik, Plessl, Christian, Ehlert, Sebastian, Hutter, Jürg, Kühne, Thomas D.
Format:	Preprint
Published:	2025
Subjects:	Computational Physics Soft Condensed Matter Statistical Mechanics Biological Physics Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2503.11867