Rovibrational structure and electric dipole moments of the AcOCH$_3$+ ion
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arXiv
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| Format: | Preprint |
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2026
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| _version_ | 1866918501813321728 |
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| author | Zakharova, Anna |
| author_facet | Zakharova, Anna |
| contents | The possibility of laser cooling and the presence of closely spaced rovibrational doublets make polyatomic molecules an attractive platform for the $\mathcal{P}$, $\mathcal{T}$-violation searches. We study the spectrum of the lowest rovibrational state of the AcOCH$_3+$ symmetric top molecule. The electronic structure full-electron computation was performed within a relativistic coupled cluster method with double and perturbative triple excitations. The rovibrational wavefunctions are obtained using a coupled channel technique, taking into account all rovibrational effects and anharmonicities of the potential. As a result, the vibrational frequencies, as well as the values of the electric dipole moments for the rovibrational states, were computed. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2605_15121 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Rovibrational structure and electric dipole moments of the AcOCH$_3$+ ion Zakharova, Anna Atomic Physics High Energy Physics - Phenomenology Chemical Physics Quantum Physics The possibility of laser cooling and the presence of closely spaced rovibrational doublets make polyatomic molecules an attractive platform for the $\mathcal{P}$, $\mathcal{T}$-violation searches. We study the spectrum of the lowest rovibrational state of the AcOCH$_3+$ symmetric top molecule. The electronic structure full-electron computation was performed within a relativistic coupled cluster method with double and perturbative triple excitations. The rovibrational wavefunctions are obtained using a coupled channel technique, taking into account all rovibrational effects and anharmonicities of the potential. As a result, the vibrational frequencies, as well as the values of the electric dipole moments for the rovibrational states, were computed. |
| title | Rovibrational structure and electric dipole moments of the AcOCH$_3$+ ion |
| topic | Atomic Physics High Energy Physics - Phenomenology Chemical Physics Quantum Physics |
| url | https://arxiv.org/abs/2605.15121 |