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mathcal{P},mathcal{T}-odd effects for RaOH molecule in the excited vibrational state

arXiv
Authors: Anna Zakharova, Alexander Petrov

Year

2020

Paper ID

18400

Status

Preprint

Abstract Read

~2 min

Abstract Words

162

Citations

N/A

Abstract

Triatomic molecule RaOH combines the advantages of laser-coolability and the spectrum with close opposite-parity doublets. This makes it a promising candidate for experimental study of the mathcal{P},mathcal{T}-violation. Previous studies concentrated on the calculations for different geometries without the averaging over the rovibrational wave function and stressed the possibility that the dependence of the mathcal{P}, mathcal{T} parameters on the bond angle may significantly alter the observed value. We obtain the rovibrational wave functions of RaOH in the ground electronic state and excited vibrational state using the close-coupled equations derived from the adiabatic Hamiltonian. The potential surface is constructed based on the two-component relativistic CCSD(T) computation employing the generalized relativistic effective core potential (GRECP) for the Radium atom. The averaged values of the parameters Erm eff and Es describing the sensitivity of the system to the electron electric dipole moment and the scalar-pseudoscalar nucleon-electron interaction are calculated and the value of l-doubling is obtained.

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  • This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
  • It adds a 2020 reference point for readers tracking recent quantum research.
  • Triatomic molecule RaOH combines the advantages of laser-coolability and the spectrum with close opposite-parity doublets.

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