Non-adiabatic, Relativistic, and Leading-order QED Corrections for Rovibrational Intervals of ${}^4$He${}_2^{+}$ ($X{}^2{\Sigma }_{\mathrm{u}}^{+}$)

Abstract

The rovibrational intervals of the ${}^4$He${}_2^{+}$ molecular ion in its $X{}^2{\Sigma }_{\text{u}}^{+}$ ground electronic state are computed by including the non-adiabatic, relativistic, and leading-order quantum-electrodynamics corrections. Good agreement of theory and experiment is observed for the rotational excitation series of the vibrational ground state and the fundamental vibration. The lowest-energy rotational interval is computed to be $70.93769(10)$ cm${}^{-1}$ in agreement with the most recently reported experimental value, $70.937589(23)(60{)}_{\text{sys}}$ cm${}^{-1}$ [L. Semeria, P. Jansen, G.-M. Camenisch, F. Mellini, H. Schmutz, and F. Merkt, Phys. Rev. Lett. 124, 213001 (2020)].

References in corpus (6)

• Benchmarking theory with an improved measurement of the ionization and dissociation energies of H${}_2$
• Complete ${\alpha }^{6}m$ corrections to the ground state of H${}_2$
• The time-dependent Born-Oppenheimer approximation
• Precision Measurements in Few-Electron Molecules: The Ionization Energy of Metastable ${}^4$He${}_2$ and the First Rotational Interval of ${}^4$He${{}_2}^{+}$
• Effective non-adiabatic Hamiltonians for the quantum nuclear motion over coupled electronic states
• High-resolution spectroscopy of He${}_2^{+}$ using Rydberg-series extrapolation and Zeeman-decelerated supersonic beams of metastable He${}_2$

Cited by in corpus (22)

• Variational Dirac-Coulomb explicitly correlated computations for atoms and molecules
• On the Breit interaction in an explicitly correlated variational Dirac-Coulomb framework
• Variational versus perturbative relativistic energies for small and light atomic and molecular systems
• The Bethe-Salpeter QED wave equation for bound-state computations of atoms and molecules
• Evaluation of the Bethe logarithm: from atom to chemical reaction
• Bound-state relativistic quantum electrodynamics: a perspective for precision physics with atoms and molecules
• Vibronic mass computation for the $EF$-$GK$-$H\bar{H}$ ${}^1{\Sigma }_{\text{g}}^{+}$ manifold of molecular hydrogen
• Regularized relativistic corrections for polyelectronic and polyatomic systems with explicitly correlated Gaussians
• Relativistic two-electron atomic and molecular energies using $LS$ coupling and double groups: role of the triplet contributions to singlet states
• Pre-Born-Oppenheimer energies, leading-order relativistic and QED corrections for electronically excited states of molecular hydrogen
• Pre-Born-Oppenheimer Dirac-Coulomb-Breit computations for two-body systems
• Lower bounds on par with upper bounds for few-electron atomic energies
• Ab initio potential energy curves, scattering lengths, and rovibrational levels of the He${}_2^{+}$ molecular ion in excited electronic states
• Benchmark potential energy curve for collinear H${}_3$
• One-particle operator representation over two-particle basis sets for relativistic QED computations
• QED theory of the nuclear magnetic shielding in H and ${}^3$He
• Characterization of the electronic ground state of He${}_2^{+}$ by high-resolution photoelectron spectroscopy
• High-Precision Quantum Dynamics of He${}_2$ over the b ${}^3{\Pi }_{\mathrm{g}}$-c ${}^3{\Sigma }_{\mathrm{g}}^{+}$ Electronic Subspace by including Non-adiabatic, Relativistic and QED Corrections and Couplings
• Precision Spectroscopy of the Fine Structure in the $\mathbf{a}{}^3{\mathbf{\Sigma }}_{\mathbf{u}}^{+}(\mathbf{v}=0)$ and $\mathbf{c}{}^3{\mathbf{\Sigma }}_{\mathbf{g}}^{+}(\mathbf{v}=4)$ States of the Helium Dimer
• Exact quantum dynamics of methanol: full-dimensional ab initio potential energy surface of spectroscopic quality and variational vibrational states
• Rovibrational computations for He${}_2^{+}$ X ${\Sigma }_{\mathrm{u}}^{+}$ including non-adiabatic, relativistic and QED corrections
• Rovibrational computations for the He${}_2$ a ${}^3{\Sigma }_{\mathrm{u}}^{+}$ state including non-adiabatic, relativistic, and QED corrections