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Electronic Structure Calculations with the Spin Orbit Effect of the Low-Lying Electronic States of the YbBr Molecule

[Image: see text] This work presents an electronic structure study employing multireference configuration interaction MRCI calculations with Davidson correction (+Q) of the ytterbium monobromide YbBr molecule. Adiabatic potential energy curves (PECs), dipole moment curves, and spectroscopic constant...

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Detalles Bibliográficos
Autores principales:	Chmaisani, Wael, El-Kork, Nayla, Elmoussaoui, Soumaya, Korek, Mahmoud
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2019
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6756743/ https://www.ncbi.nlm.nih.gov/pubmed/31552340 http://dx.doi.org/10.1021/acsomega.9b01759

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