Calculation of the High Angular Momentum Dissociation Limit for H; and H2d+
نویسندگان
چکیده
Ab initio rotation-vibration calculations are presented for four H: potential energy surfaces with a view to determining a variational lower bound on the highest angular momentum state of H; and H,D’ supported by each potential. The calculations are performed using a two-step variational method and retain all ro-vibrational couplings. The results are found to be insensitive to the details of the potential other than the dissociation energy. For each of the three most accurate potentials J= 46 and J= 54 are the highest states found for H,+ and H,D+ respectively.
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