Quantum mechanics of highly excited states of the H sup + sub 3 molecular ion: A numerical study of the two degree of freedom C sub 2 v subspace
- Chemical Physics Department, Weizmann Institute of Science, Rehovot 76100, Israel (IL)
Two degrees of freedom quantum mechanical calculations on the bound states of H{sup +}{sub 3} are presented. Two different potential energy surfaces are employed. The effect of rotational excitation is analyzed. For {ital J}=0, the high energy region is composed largely of states that cannot be assigned. However, two regularly spaced series are observed, corresponding to horseshoe'' states predicted previously by classical calculations. In addition we find a new assignable series of inverted hyperspherical states. Conversely, for high orbiting angular momentum ({ital l}=20) in which the proton rotates about the diatom, assignable normal mode states persist up to dissociation. Semiclassical periodic orbit quantization is found to give excellent agreement for the regular quantum states. The significance of these results for the interpretation of the H{sup +}{sub 3} photodissociation spectrum is discussed.
- OSTI ID:
- 7243864
- Journal Information:
- Journal of Chemical Physics; (USA), Vol. 92:5; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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