Ro-vibrational states of H${}_2^{+}$. Variational calculations

Abstract

The nonrelativistic variational calculation of a complete set of ro-vibrational states in the H${}_2^{+}$ molecular ion supported by the ground $1s\sigma$ adiabatic potential is presented. It includes both bound states and resonances located above the $n=1$ threshold. In the latter case we also evaluate a predissociation width of a state wherever it is significant. Relativistic and radiative corrections are discussed and effective adiabatic potentials of these corrections are included as supplementary files.

7 pages, 1 figure, 2 tables, 5 ancillary files

References in corpus (7)

• CODATA Recommended Values of the Fundamental Physical Constants: 2014
• Probing QED and fundamental constants through laser spectroscopy of vibrational transitions in HD+
• Fundamental transitions and ionization energies of the hydrogen molecular ions at the few ppt level
• Test of the theoretical hyperfine structure of the molecular hydrogen ion at the 1-ppm level
• Observation and calculation of the quasi-bound rovibrational levels of the electronic ground state of H${}_2^{+}$
• Relativistic corrections of order mα^6 to the two-center problem
• Structure and dynamics of H${}_2^{+}$ near the dissociation threshold: a combined experimental and computational investigation

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• Effective non-adiabatic Hamiltonians for the quantum nuclear motion over coupled electronic states
• Non-adiabatic mass correction to the rovibrational states of molecules. Numerical application for the H${}_2^{+}$ molecular ion
• Non-adiabatic mass correction for excited states of molecular hydrogen: improvement for the outer-well $H\bar{H}{}^1{\Sigma }_{\mathrm{g}}^{+}$ term values
• Solution of the two-center Dirac equation with 20 digits precision using the finite-element technique
• Stark quenching of rovibrational states of H2+ due to motion in a magnetic field
• Prospects for the determination of fundamental constants with beyond-state-of-the-art uncertainty using molecular hydrogen ion spectroscopy
• Precision measurement of quasi-bound resonances in H${}_2$ and the H + H scattering length
• Shape resonances in H${}_2$ as photolysis reaction intermediates