Variational calculations for highJ, low ν levels of HD+

Abstract

Full variational calculations for the vibration-rotation levels of the ground electronic state of HD⁺ are reported. All nonadiabatic coupling terms are retained in the hamiltonian and both Σ and Π functions are included in the basis, so that coupling of electronic and rotational angular momentum is accounted for; Fues-type functions are used in the vibrational basis. The results, which include high J levels but are limited to low ν, are for ν = 0, J ˇ- 46; ν = 1, J ˇ- 43; ν = 2, J ˇ- 38; ν = 3, ν = 4, J = 0. Where comparison is possible, the agreement with previous calculations is good and agreement with experiment is excellent.