A previously proposed [Sutcliffe and Tennyson, Int. J. Quantum Chem. 29, 183 (1991)] body‐fixed Hamiltonian is applied to AB2 systems in Radau coordinates with the x‐axis embedded along the bisector of the angle. It is shown that by using a discrete variable representation for the angular coordinate it is possible to avoid singular regions of the Hamiltonian. A two‐step variational procedure is used to obtain rotationally excited states of the system. The results of test calculations H2S and D2S with J = 0, 1, 5, and 10 are discussed along with computer‐usage characteristics.
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Tennyson et al. (1992) studied this question.
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