nonadiabatic molecular dynamics

Ab Initio Nonadiabatic Molecular Dynamics Investigations on the Excited Carriers in Condensed Matter Systems
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Ultrafast Dynamics of Solvated Electrons at Anatase TiO$_2$/H$_2$O Interface
Sun Huijuan𝟙, Zheng Qijing, Wencai Lu, Zhao Jin
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Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface
Zheng Qijing𝟙, Wissam A. Saidi, Yu Xie, Zhenggang Lan, Oleg V. Prezhdo, Hrvoje Petek, Zhao Jin
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