$\mathcal{P}$,$\mathcal{T}$-odd energy shifts of the $^{173}$YbOH

TL;DR

This paper calculates the energy shifts in $^{173}$YbOH molecules caused by nuclear magnetic quadrupole moments, aiding the interpretation of experimental measurements related to fundamental symmetry violations.

Contribution

The authors extended a method for parity nonconservation calculations to include $P_{ M}$ constants in triatomic molecules, specifically applying it to $^{173}$YbOH for the first excited bending mode.

Findings

Calculated $P_{ M}$ constant for $^{173}$YbOH in the first excited bending mode.

Provided theoretical data essential for extracting nuclear magnetic quadrupole moments from experiments.

Enhanced understanding of parity nonconservation effects in triatomic molecules.

Abstract

The energy shift in molecular spectra due to interaction of nuclear magnetic quadrupole moment ($M$) with electrons is equal to $\delta E_M = MW_M P_{ M}$, where $W_M$ is a constant determined by the electronic structure of the molecule and $P_{ M}$ is a dimensionless constant. We extended the method for calculation of parity nonconservation effects in triatomic molecules developed in Ref. [A. Petrov and A. Zakharova, Phys. Rev. A ${\bf 105}$, L050801 (2022)] to the case of $P_{ M}$ constant and applied it to $^{173}$YbOH in the first excited $v=1$ bending mode. Results of our calculations are required for the extraction of the $M$ value from the YbOH experiment.