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Electronic spectra of ytterbium fluoride from relativistic electronic structure calculations

We report an investigation of the low-lying excited states of the YbF molecule-a candidate molecule for experimental measurements of the electron electric dipole moment-with 2-component based multi-reference configuration interaction (MRCI), equation of motion coupled cluster (EOM-CCSD) and the extr...

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Detalles Bibliográficos
Autores principales:	Pototschnig, Johann V., Dyall, Kenneth G., Visscher, Lucas, Gomes, André Severo Pereira
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8514048/ https://www.ncbi.nlm.nih.gov/pubmed/34596656 http://dx.doi.org/10.1039/d1cp03701c

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