On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: considerations of symmetry, accuracy, and simplicity

The rotation-vibration (Coriolis) coupling contribution to variationally computed rovibrational energy levels is investigated, employing triatomic AB[Formula: see text] molecules as models. In particular, calculations are performed for H[Formula: see text] [Formula: see text] O, across a range of vi...

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Detalles Bibliográficos
Autores principales: Sarka, János, Poirier, Bill, Szalay, Viktor, Császár, Attila G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7078231/
https://www.ncbi.nlm.nih.gov/pubmed/32184431
http://dx.doi.org/10.1038/s41598-020-60971-x

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7078231/
https://www.ncbi.nlm.nih.gov/pubmed/32184431
http://dx.doi.org/10.1038/s41598-020-60971-x

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