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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
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| Materias: | |
| 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 |