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

Abstract

Selected states of the $EF\ ^1\Sigma_\mathrm{g}^+$ 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.