Cargando…

Global diabatic potential energy surfaces and quantum dynamical studies for the Li(2p) + H(2)(X(1)Σ(+)(g)) → LiH(X(1)Σ(+)) + H reaction

The global diabatic potential energy surfaces which are correlated with the ground state 1A′ and the excited state 2A′ of the Li(2p) + H(2) reaction are presented in this study. The multi-reference configuration interaction method and large basis sets (aug-cc-pVQZ for H atom and cc-pwCVQZ for Li ato...

Descripción completa

Detalles Bibliográficos
Autores principales: He, Di, Yuan, Jiuchuang, Li, Huixing, Chen, Maodu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4850413/
https://www.ncbi.nlm.nih.gov/pubmed/27125781
http://dx.doi.org/10.1038/srep25083

Ejemplares similares