Variational studies of ro-vibrational spectra of DT$^+$ and T$_2^+$ ions

TL;DR

This paper provides high-precision nonrelativistic solutions and transition data for the vibrational states of DT$^+$ and T$_2^+$ ions, filling a gap in spectroscopic knowledge for these isotopologues.

Contribution

It offers the first high-precision calculations of vibrational spectra, transition amplitudes, relativistic corrections, and hyperfine coefficients for DT$^+$ and T$_2^+$ ions.

Findings

Spectroscopic precision solutions for vibrational states up to the highest levels.

Calculated electric dipole transition amplitudes and relativistic corrections.

Determined hyperfine structure coefficients for both ions.

Abstract

In this work we study the last two hydrogen molecular ion isotopologues: DT$^+$ and T$_2^+$, for which high-precision calculations have not yet been made. We obtain the nonrelativistic solutions of the Schr\"odinger equation for the wide range of vibrational states up to the highest possible vibrational $1s\sigma_g$ state which are of spectroscopic precision. Transition amplitudes for electric dipole transitions, leading-order relativistic corrections and coefficients of the effective hyperfine structure Hamiltonians for both DT$^+$ and T$_2^+$ are also calculated.