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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(...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| 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 |