An ab initio study of the rovibronic spectrum of sulphur monoxide (SO): diabatic vs. adiabatic representation

We present an ab initio study of the rovibronic spectra of sulphur monoxide ((32)S(16)O) using internally contracted multireference configuration interaction (ic-MRCI) method and aug-cc-pV5Z basis sets. It covers 13 electronic states X(3)Σ(−), a(1)Δ, b(1)Σ(+), c(1)Σ(−), A′′(3)Σ(+), A′(3)Δ, A(3)Π, B(...

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Detalles Bibliográficos
Autores principales: Brady, R. P., Yurchenko, S. N., Kim, G.-S., Somogyi, W., Tennyson, J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9623608/
https://www.ncbi.nlm.nih.gov/pubmed/36172791
http://dx.doi.org/10.1039/d2cp03051a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9623608/
https://www.ncbi.nlm.nih.gov/pubmed/36172791
http://dx.doi.org/10.1039/d2cp03051a

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