Machine Learning Nonadiabatic Dynamics: Eliminating Phase Freedom of Nonadiabatic Couplings with the State-Intraction State-Averaged Spin-Restricted Ensemble-Referenced Kohn-Sham Approach

Fuente: arXiv

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Bibliographic Details
Main Authors:	Moon, Sung Wook, Willow, Soohaeng Yoo, Park, Tae Hyeon, Min, Seung Kyu, Myung, Chang Woo
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Machine Learning
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2410.22801