Rovibrational states of D3+ for the 1 1A′ ground singlet and first triplet 1 3A′ electronic states are computed using previously reported accurate global potential energy surfaces. The differences with respect to experimental transition frequencies obtained for D3+ (1A′) are, in general, smaller than those obtained for H3+ (1A′), what allows to determine an upper limit of the error of the potential energy surface, independently of adiabatic corrections. For the 1 3A′, which has three degenerate minima at collinear configuration, the tunneling splittings are evaluated and compared with those obtained for the lighter H3+ isotopomer.
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Cuervo‐Reyes et al. (2002) studied this question.
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