Calculations for the vibration-rotation levels of H⁺₂ in its ground and first excited electronic states

Abstract

Non-adiabatic dissociation energies are calculated for 462 vibration-rotation levels of the ground electronic state of H⁺ ₂, together with the three vibration-rotation levels of the first excited electronic state, using a transformed Hamiltoonian and an artificial-channels scattering method. Coupling of rotational and electronic angular momenta is accounted for, so that ground state levels with the highest N are included. Relativistic and radiative corrections are made to give dissociation energies, that of the 0,0 level of the ground electronic state agreeing with experiment. In particular, calculated energy separations are in excellent agreement with the few available experimental values.