Rovibrational energy levels of the hydrogen molecule through nonadiabatic perturbation theory

Abstract

We present an accurate theoretical determination of rovibrational energy levels of the hydrogen molecule and its isotopologues in its electronic ground state. We consider all significant corrections to the Born-Oppenheimer approximation, obtained within nonadiabatic perturbation theory, including the mixed nonadiabatic-relativistic effects. Quantum electrodynamic corrections in the leading ${\alpha }^{5}m$ and the next-to-leading ${\alpha }^{6}m$ orders, as well as finite nuclear size effect, are also taken into account but within the Born-Oppenheimer approximation only. Final results for the transition wavelength between rovibrational levels achieve accuracy of the order of $10^{-3}$--$10^{-7}$ cm${}^{-1}$, and are provided by simple to use computer code.

10 pages

References in corpus (7)

• The full infrared spectrum of molecular hydrogen
• 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${}_2$
• Nonadiabatic corrections to the wave function and energy
• Assessment of molecular effects on neutrino mass measurements from tritium beta decay
• Dissociation Energy of Molecular Hydrogen Isotopologues
• CARS spectroscopy of the ($v=0\to 1$) band in ${\mathrm{T}}_2$

Cited by in corpus (25)

• Sub-ppb measurement of a fundamental band rovibrational transition in HD
• Ultra-high finesse cavity-enhanced spectroscopy for accurate tests of quantum electrodynamics for molecules
• Calculation of Electric Quadrupole Linestrengths for Diatomic Molecules: Application to the H2, CO, HF and O2 Molecules
• Stimulated-Raman-Scattering Metrology
• Precision measurement of the fundamental vibrational frequencies of tritium-bearing hydrogen molecules: T${}_2$, DT, HT
• Hyperfine structure in the HD molecule
• Hyperfine components of all rovibrational quadrupole transitions in the H${}_2$ and D${}_2$ molecules
• Leading-order QED effects in the ground electronic state of molecular hydrogen
• Rotational level spacings in HD from vibrational saturation spectroscopy
• Photolysis production and spectroscopic investigation of the highest vibrational states in H${}_2$ (X${}^1{\Sigma }_g^{+}$ $v=13,14$)
• Born-Oppenheimer potentials for $\Pi$, $\Delta$, and $\Phi$ states of the hydrogen molecule
• Vibronic mass computation for the $EF$-$GK$-$H\bar{H}$ ${}^1{\Sigma }_{\text{g}}^{+}$ manifold of molecular hydrogen
• Nonrelativistic energy of tritium-containing hydrogen molecule isotopologues
• Charmonium Properties Using the Discrete Variable Representation (DVR) Method
• A Study of New Physics Searches with Tritium and Similar Molecules
• A Stimulated Raman Loss spectrometer for metrological studies of quadrupole lines of hydrogen isotopologues
• Nuclear magnetic shielding in HD and HT
• Benchmark potential energy curve for collinear H${}_3$
• Precision measurement of quasi-bound resonances in H${}_2$ and the H + H scattering length
• Shape resonances in H${}_2$ as photolysis reaction intermediates
• HCl, DCl and TCl diatomic molecules in their ground state: predicting Born-Oppenheimer rovibrational spectra
• Absorption spectra of electrified hydrogen molecules
• Hyperfine and Zeeman interactions in ultracold collisions of molecular hydrogen with atomic lithium
• Lamb-peak spectrum of the HD (2-0) P(1) line
• Nonadiabatic corrections to electric quadrupole transition rates in H${}_2$