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Open Quantum Systems Decoherence Quantum Chemistry Quantum Simulation

Rovibrational structure and electric dipole moments of the AcOCH3+ ion

arXiv
Authors: Anna Zakharova

Year

2026

Paper ID

60756

Status

Preprint

Abstract Read

~2 min

Abstract Words

104

Citations

0

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 AcOCH3+ 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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  • The possibility of laser cooling and the presence of closely spaced rovibrational doublets make polyatomic molecules an attractive platform for the mathcalP, mathcalT-violation...

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References & Citation Signals

[1] DOI https://doi.org/arXiv:2605.15121 [2] arXiv https://arxiv.org/abs/2605.15121 [3] Publisher https://arxiv.org/abs/2605.15121

Local Citation Graph (Related-Paper Links)

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External citation index: OpenAlex citation signal • updated 2026-06-15 08:52:57

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