Spectroscopic and Electric Properties of the TaO${}^{+}$ Molecule Ion for the Search of New Physics: A Platform for Identification and State Control

Abstract

The TaO${}^{+}$ cation is an attractive molecular species to search for parity- and time-reversal-violating interactions, in particular of hadronic origin. For the spectroscopic detection and preparation of TaO${}^{+}$ cation in a desired state detailed knowledge of spectroscopic and electric properties in excited states is essential information. In this work we present spectroscopy constants for TaO${}^{+}$ in the electronic ground and 29 excited states calculated with relativistic configuration interaction theory. The equilibrium bond lengths ($R_{\mathrm{e}}$), harmonic vibrational frequencies (${\omega }_{\mathrm{e}}$), transition dipole moments (TDM), vertical excitation energies and static molecular dipole moments (PDM) are summarized. We include a detailed characterization of all electronic states in terms of their spinor occupations. This work supports the realization of experiments using TaO${}^{+}$ ions to search for new physics beyond the standard model of elementary particles.

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