ROTATION-VIBRATIONAL STATES OF H2D+ USING HYPERSPHERICAL COORDINATES AND HARMONICS

Using the highly accurate Rohse-Kutzelnigg-Jaquet-Klopper potential su rface the band origins up to 9000 cm(-1) have been calculated for H2D Ro-vibrational term values have been calculated up to J = 12 for the vibrational ground state, up to J = 8 for the singly excited states an d up to J = 4 for the doubly excited states. The relation between exac t hyperspherical quantum numbers and the usual spectroscopic quantum n umbers is discussed and the results obtained are compared with the ava ilable experimentally observed transition energies. As many of the cal culated terms have not been observed yet, the data presented should ai d experimental assignments.