Photodissociation of water molecule at short photon wavelengths: Dynamical studies

In our last study [J. Phys. B At. Mol. Opt. Phys. 54, 125,102 (2021).], we reported the ab initio calculation of the full-dimensional potential energy surfaces of water molecule including 9 A’ and 9 A” states in Cs symmetry. In this study, we performed additional non-adiabatic semi-classical studies...

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Principais autores:	Yigeng Peng, Xiaoqing Hu, Yong Wu, Jianguo Wang, Ruifeng Lu, Nicolas Sisourat
Formato:	Artigo
Idioma:	Inglês
Publicado:	Frontiers Media S.A. 2023-03-01
Series:	Frontiers in Physics
Assuntos:	photodissociation semi-classical surface-hopping potential energy surface non-adiabatic dynamics
Acceso en liña:	https://www.frontiersin.org/articles/10.3389/fphy.2023.1098119/full
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