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arXiv · 1904.08609

Precise computation of rovibronic resonances of molecular hydrogen: $EF\ ^1Σ_\mathrm{g}^+$ inner-well rotational states

Dávid Ferenc·Edit Mátyus
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Abstract

Selected states of the $EF\ ^1Σ_\mathrm{g}^+$ electronic manifold of the hydrogen molecule are computed as resonances of the four-body problem. Systematic improvement of the basis representation for the variational treatment is achieved through an energy-tracking optimization procedure. The resulting non-relativistic energy is converged within a few nano Hartree, while the predissociative width is found to be negligible at this level of accuracy. The four-particle non-relativistic energies are appended with relativistic and quantum electrodynamics corrections which close the gap between the experimental observations and earlier theoretical work.

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Dávid Ferenc, Edit Mátyus. 2019-08-21. Precise computation of rovibronic resonances of molecular hydrogen: $EF\ ^1Σ_\mathrm{g}^+$ inner-well rotational states. https://doi.org/10.1103/physreva.100.020501

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