$\mathcal{T},\mathcal{P}$-odd effects in the ${\mathrm{LuOH}}^{+}$ cation

The $\mathrm{Lu}\mathrm{O}{\mathrm{H}}^{+}$ cation is a promising system to search for manifestations of time reversal and spatial parity violation effects. Such effects in $\mathrm{Lu}\mathrm{O}{\mathrm{H}}^{+}$ induced by the electron electric dipole moment $e\mathrm{EDM}$ and the scalar-pseudoscalar interaction of the nucleus with electrons, characterized by $k_s$ constant, in $\mathrm{Lu}\mathrm{O}{\mathrm{H}}^{+}$ are studied. The enhancement factors, polarization in the external electric field, hyperfine interaction, and rovibrational structure are calculated. The study is required for the experiment preparation and extraction of the $e\mathrm{EDM}$ and $k_s$ values from experimental data.

Figure 1

Jacobi coordinates for $\mathrm{Lu}\mathrm{O}{\mathrm{H}}^{+}$ molecule.

Figure 2

Potential curve $V\left(\theta \right)$. Red (solid) curve is for CCSD, green (dashed) curve is for CCSD(T) calculations.

Figure 3

(a) Energy and (b) polarization for the group of levels with zero field energy of $\sim 31850$ MHz, numbered 43–56.