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

Internet

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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