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arXiv · 2605.15121

Rovibrational structure and electric dipole moments of the AcOCH$_3$+ ion

Anna Zakharova
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Abstract

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.

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Anna Zakharova. 2026-05-14. Rovibrational structure and electric dipole moments of the AcOCH$_3$+ ion. https://arxiv.org/abs/2605.15121

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