A Method for the Variational Calculation of Hyperfine-Resolved Rovibronic Spectra of Diatomic Molecules

[Image: see text] An algorithm for the calculation of hyperfine structure and spectra of diatomic molecules based on the variational nuclear motion is presented. The hyperfine coupling terms considered are Fermi-contact, nuclear spin-electron spin dipole–dipole, nuclear spin–orbit, nuclear spin-rota...

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Detalles Bibliográficos
Autores principales: Qu, Qianwei, Yurchenko, Sergei N., Tennyson, Jonathan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9097294/
https://www.ncbi.nlm.nih.gov/pubmed/35148098
http://dx.doi.org/10.1021/acs.jctc.1c01244

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9097294/
https://www.ncbi.nlm.nih.gov/pubmed/35148098
http://dx.doi.org/10.1021/acs.jctc.1c01244

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