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Accurate potential energy surfaces for the first two lowest electronic states of the Li (2p) + H(2) reaction

The accuracy of three-dimensional adiabatic and diabatic potential energy surfaces is calculated using ab initio methods and is numerically fitted for the two lowest electronic states 1 and 2(2)A′ of the LiH(2) system, which are very important for the Li (2p) + H(2) reaction. The finite difference m...

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Detalles Bibliográficos
Autores principales:	Fu, Liwei, Wang, Dequan, Huang, Xuri
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9080088/ https://www.ncbi.nlm.nih.gov/pubmed/35539505 http://dx.doi.org/10.1039/c8ra02504e

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