Dipole moment of the YbOH molecule
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Updated: Oct 31, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Sergey Prosnyak1, Leonid V Skripnikov1,2, Alexander Petrov1,2
1Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Centre "Kurchatov Institute," 1 mkr. Orlova roshcha, Gatchina 188300, Russia.
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.
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