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TDDFT Gradients and Nonadiabatic Couplings with Minimal Auxiliary Basis Set Approximation for Fewest-Switches Surface Hopping Dynamics

Fuente: arXiv

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Bibliographic Details
Main Authors:	Fan, Cheng, Pu, Zhichen, Zhou, Zehao, Wang, Yuanheng, Gao, Yi Qin, Sun, Qiming
Format:	Preprint
Published:	2026
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
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