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Electronic Structure with Dipole Moment and Rovibrational Calculation of Cadmium Chalcogenide Molecules CdX (X = Se, Te)
[Image: see text] Ab initio calculations of 51 electronic states in the representation (2s+1)Λ((±)) of CdX (X = Se, Te) molecules have been carried out by using the complete active space self-consistent field and multireference configuration interaction (single and double excitations with the Davids...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648156/ https://www.ncbi.nlm.nih.gov/pubmed/31459368 http://dx.doi.org/10.1021/acsomega.8b01306 |