Methane dimer rovibrational states and Raman transition moments
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arXiv
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| Auteurs principaux: | , , |
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| Format: | Preprint |
| Publié: |
2023
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| _version_ | 1866913381707939840 |
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| author | Daría, Alberto Martín Santa Avila, Gustavo Mátyus, Edit |
| author_facet | Daría, Alberto Martín Santa Avila, Gustavo Mátyus, Edit |
| contents | Benchmark-quality rovibrational data are reported for the methane dimer from variational nuclear motion computations using an ab initio intermolecular potential energy surface reported by [M. P. Metz et al., Phys. Chem. Chem. Phys., 2019, 21, 13504-13525]. A simple polarizability model is used to compute Raman transition moments that may be relevant for future direct observation of the intermolecular dynamics. Non-negligible $ΔK\neq 0$ transition moments arise in this symmetric top system due to strong rovibrational couplings. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2312_14099 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Methane dimer rovibrational states and Raman transition moments Daría, Alberto Martín Santa Avila, Gustavo Mátyus, Edit Chemical Physics Benchmark-quality rovibrational data are reported for the methane dimer from variational nuclear motion computations using an ab initio intermolecular potential energy surface reported by [M. P. Metz et al., Phys. Chem. Chem. Phys., 2019, 21, 13504-13525]. A simple polarizability model is used to compute Raman transition moments that may be relevant for future direct observation of the intermolecular dynamics. Non-negligible $ΔK\neq 0$ transition moments arise in this symmetric top system due to strong rovibrational couplings. |
| title | Methane dimer rovibrational states and Raman transition moments |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2312.14099 |