Lagrangian Formulation of Nuclear-Electronic Orbital Ehrenfest Dynamics with Real-time TDDFT for Extended Periodic Systems

Fuente: arXiv

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Bibliographic Details
Main Authors:	Xu, Jianhang, Zhou, Ruiyi, Li, Tao E., Hammes-Schiffer, Sharon, Kanai, Yosuke
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Computational Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2407.18842