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

TL;DR

This paper provides detailed spectroscopic and electric property data for the TaO$^+$ molecule, supporting its use in experiments searching for new physics beyond the standard model.

Contribution

It offers comprehensive spectroscopic constants and state characterizations for TaO$^+$, including 29 excited states, calculated with relativistic configuration interaction theory.

Findings

Spectroscopic constants for ground and excited states of TaO$^+$ are provided.

Electronic state characterizations including spinor occupations are detailed.

Supports experimental efforts to use TaO$^+$ in fundamental physics searches.

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.