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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| 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 |