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Predissociation resonances and accurate ab initio calculations of dication HF(2+)

It is very interesting and challenging to investigate the electronic structures of diatomic dications, due to the nature of coulombic repulsive and bound attractive dissociation limits and their avoided diabatic interactions. Using the multi-reference configuration interaction approach, comprehensiv...

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Detalles Bibliográficos
Autores principales: Liu, Dong, Li, Rui, Ren, Juan, Cheng, Yongjun, Yan, Bing, Wu, Yong, Wang, Jian Guo, Zhang, Song Bin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8695458/
https://www.ncbi.nlm.nih.gov/pubmed/35423438
http://dx.doi.org/10.1039/d1ra00837d