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Investigation of Spectroscopic Properties and Spin-Orbit Splitting in the X(2)Π and A(2)Π Electronic States of the SO(+) Cation

The potential energy curves (PECs) of the X(2)Π and A(2)Π electronic states of the SO(+) ion are calculated using the complete active space self-consistent field method, which is followed by the internally contracted multireference configuration interaction (MRCI) approach for internuclear separatio...

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Detalles Bibliográficos
Autores principales: Xing, Wei, Shi, Deheng, Sun, Jinfeng, Zhu, Zunlue
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3430229/
https://www.ncbi.nlm.nih.gov/pubmed/22942698
http://dx.doi.org/10.3390/ijms13078189

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