Efficient Composite Infrared Spectroscopy: Combining the Doubly-Harmonic Approximation with Machine Learning Potentials

Fuente: arXiv

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Bibliographic Details
Main Authors:	Pracht, Philipp, Pillai, Yuthika, Kapil, Venkat, Csányi, Gábor, Gönnheimer, Nils, Vondrák, Martin, Margraf, Johannes T., Wales, David J.
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2408.08174