Non-adiabatic mass correction for excited states of molecular hydrogen: improvement for the outer-well $H\bar{H}{}^1{\Sigma }_{\mathrm{g}}^{+}$ term values

Abstract

The mass-correction function is evaluated for selected excited states of the hydrogen molecule within a single-state non-adiabatic treatment. Its qualitative features are studied under the avoided crossing of the $EF$ with the $GK$ state and also for the outer well of the $H\bar{H}$ state. For the $H\bar{H}$ state, a negative mass correction is obtained for the vibrational motion near the outer minimum, which accounts for most of the deviation between experiment and earlier theoretical work.

References in corpus (11)

• Nonadiabatic corrections to rovibrational levels of H${}_2$
• Nonadiabatic corrections to the wave function and energy
• Pair potential with submillikelvin uncertainties and nonadiabatic treatment of the halo state of helium dimer
• On the mass of atoms in molecules: Beyond the Born-Oppenheimer approximation
• Pre-Born-Oppenheimer Molecular Structure Theory
• The time-dependent Born-Oppenheimer approximation
• Ro-vibrational states of H${}_2^{+}$. Variational calculations
• Non-adiabatic mass-correction functions and rovibrational states of ${}^4$He${}_2^{+}$ ($X{}^2{\Sigma }_{\text{u}}^{+}$)
• Effective non-adiabatic Hamiltonians for the quantum nuclear motion over coupled electronic states
• Structure and dynamics of H${}_2^{+}$ near the dissociation threshold: a combined experimental and computational investigation
• Non-adiabatic mass correction to the rovibrational states of molecules. Numerical application for the H${}_2^{+}$ molecular ion

Cited by in corpus (15)

• 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
• Pre-Born-Oppenheimer energies, leading-order relativistic and QED corrections for electronically excited states of molecular hydrogen
• Relativistic two-electron atomic and molecular energies using $LS$ coupling and double groups: role of the triplet contributions to singlet states
• Lower bounds on par with upper bounds for few-electron atomic energies
• Pre-Born-Oppenheimer Dirac-Coulomb-Breit computations for two-body systems
• Benchmark potential energy curve for collinear H${}_3$
• One-particle operator representation over two-particle basis sets for relativistic QED computations
• 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
• Rovibrational computations for the He${}_2$ a ${}^3{\Sigma }_{\mathrm{u}}^{+}$ state including non-adiabatic, relativistic, and QED corrections