Dipole moment of the YbOH molecule

The YbOH molecule is a sensitive system to use in searches for fundamental symmetry violations. Its molecular-frame permanent and transition dipole moments are of key importance for preparing and interpreting experiments. We calculate these quantities for the lowest bending vibrational modes of the ground electronic state. A high-level coupled cluster method for electronic structure calculations, together with averaging over vibrational states, was employed to obtain accurate values.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2026-10-28
DOI
https://doi.org/10.1063/5.0355553
Primary Topic
Advanced Chemical Physics Studies
Type
article
Field-Weighted Citation Impact
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article

Dipole moment of the YbOH molecule

Nicholas R. Hutzler, Sergey D. Prosnyak, Leonid V. Skripnikov, Alexander N. Petrov
The Journal of Chemical Physics
Advanced Chemical Physics Studies
article

Dipole moment of the YbOH molecule

Nicholas R. Hutzler, Sergey D. Prosnyak, Leonid V. Skripnikov, Alexander N. Petrov
article en

Abstract

The YbOH molecule is a sensitive system to use in searches for fundamental symmetry violations. Its molecular-frame permanent and transition dipole moments are of key importance for preparing and interpreting experiments. We calculate these quantities for the lowest bending vibrational modes of the ground electronic state. A high-level coupled cluster method for electronic structure calculations, together with averaging over vibrational states, was employed to obtain accurate values.

The Journal of Chemical PhysicsVol. 165(16)
California Institute of Technology (US), St Petersburg University (RU), Kurchatov Institute (RU), Petersburg Nuclear Physics Institute (RU)
Openalex Percentile: Top 20%
Advanced Chemical Physics Studies
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