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• W1636368034 abstract "The potential energy surface for the ground state of He-H2+ is calculated using ab initio QCISD(T) calculations and a correlation-consistent basis set. The geometries chosen include all combinations of 21 intermolecular distances R, three H-H distances r, and seven Jacobi angles θ. The final potential is fitted to a functional form that incorporates the correct long-range behavior. Close-coupling calculations of both low-lying and near-dissociation vibration-rotation states are carried out. The results are expected to be of assistance in assigning the microwave spectra of He-H2+ in near-dissociation states [Carrington et al., Chem. Phys. Lett. 260, 395 (1996)]." @default.
• W1636368034 created "2016-06-24" @default.
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• W1636368034 date "1999-02-15" @default.
• W1636368034 modified "2023-10-04" @default.
• W1636368034 title "The potential energy surface and near-dissociation states of He-H2+" @default.
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• W1636368034 doi "https://doi.org/10.1063/1.478208" @default.
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