The 2pσu–1sσg electronic spectrum of D +2

Abstract

Non-adiabatic dissociation energies are calculated for the N≤ 5 vibration–rotation levels of the ground electronic state of D⁺₂, together with the seven vibration–rotation levels of the first excited electronic state, using a transformed Hamiltonian and an artificial-channels scattering method. Coupling of rotational and electronic angular momenta is 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 electronic transition energies are in excellent agreement with the available experimental values. The complete calculated 2pσ_u–1sσ_g vibronic band system of D⁺₂ is reported.