Abstract

The transformed Schrodinger equation, in which the g/u symmetry breaking terms appear in the potential energy, is solved in an adiabatic approximation to give vibration-rotation energies and vibrationally averaged Fermi contact parameters near dissociation for the ground and first excited states of HD+. The electronic part of the equation is solved variationally, using basis functions modelled on the Hylleraas expansion. These results are found to be in close agreement with those from a coupled states calculation, for which improved values for other hyperfine parameters are also given. By extending the range of integration in the numerical solution of the vibration-rotation equation, the highest bound levels of HD+ are found to be v=22, J=1 for the ground electronic state and v=1, J=0 for the first excited state.

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