Pre-Born-Oppenheimer energies, leading-order relativistic and QED corrections for electronically excited states of molecular hydrogen

Abstract

For rovibronic states corresponding to the $B$ and $B^{\prime }{}^1{\Sigma }_{\text{u}}^{+}$ electronic states of the hydrogen molecule, the pre-Born--Oppenheimer (four-particle) non-relativistic energy is converged to a 1-3 parts-per-billion relative precision. The four-particle non-relativistic energy is appended with leading-order relativistic, leading- and estimated higher-order quantum-electrodynamics corrections. The resulting term values referenced to the rovibronic ground state are obtained in an excellent agreement with the experimental results. Further results are reported and discussed for other rovibronic states assignable to the $C{}^1{\Pi }_{\text{u}}$ and the $EF,GK,$ and $HH{}^1{\Sigma }_{\text{g}}^{+}$ electronic states.

References in corpus (11)

• Benchmarking theory with an improved measurement of the ionization and dissociation energies of H${}_2$
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Cited by in corpus (6)

• The Bethe-Salpeter QED wave equation for bound-state computations of atoms and molecules
• Bound-state relativistic quantum electrodynamics: a perspective for precision physics with atoms and molecules
• Regularized relativistic corrections for polyelectronic and polyatomic systems with explicitly correlated Gaussians
• Atomic Bethe logarithm in the mean-field approximation
• One-particle operator representation over two-particle basis sets for relativistic QED computations
• Spectroscopic study of the F${}^1{\Sigma }_g^{+}$ outer well state in H${}_2$, HD and D${}_2$