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A large number of full CI calculations has been performed in order to obtain an accurate representation of the potential energy surface of the molecular ion H+3 in its lowest triplet state. It is found that the surface is very flat, so that the molecule is very floppy and has a great likelihood of tunneling between the three symmetry-related minima. The potential is expanded in terms of elements of Wigner D matrices depending on hyperspherical angles. An extensive discussion of the Smith–Whitten hyperspherical coordinates, used in this work, is given.
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Wormer et al. (1989) studied this question.
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