Bound ro-vibronic states of triplet H3(+).
On the basis of a new, highly accurate potential energy hypersurface for the lowest triplet state of H+3, (3)Sigma(+)(u), the bound ro-vibronic states are calculated for J</=5. Since the potential has very shallow minima, those states exist only up to single vibrational excitation. The symmetry properties of the ro-vibrational states are investigated. Further, it is demonstrated that the first excited triplet state, which intersects conically with the (3)Sigma(+)(u) state, has no effect on the reported ro-vibrational energies.
Friedrich
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O
Fakultät für Chemie, Universität Bielefeld, 33615 Bielefeld, Germany.
Alijah
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A
Xu
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Varandas
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