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Non-adiabatic calculations for H2 +, HD+ and D2

Bishop, David M.

Molecular physics, 1974-01, Vol.28 (6), p.1397-1408 [Periódico revisado por pares]

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Título:
Non-adiabatic calculations for H2 +, HD+ and D2
Autor: Bishop, David M.
É parte de: Molecular physics, 1974-01, Vol.28 (6), p.1397-1408
Descrição: Non-adiabatic calculations are reported for the two lowest non-rotational energy levels of H 2 + , HD + and D 2 + . They are lower in energy than previously published non-adiabatic calculations and the dissociation energies are 21 379·28, 21 515·99 and 21 711·51 cm -1 for H 2 + , HD + and D 2 + , respectively. Certain approximate ratios for the non-adiabatic corrections are discussed and shown to be in reasonable agreement with the exact ratios. It is suggested that the Unsöld average-energy denominator for H 2 + should lie between 2·6 × 10 5 and 3·6 × 10 5 cm -1 .
Editor: Taylor & Francis Group
Idioma: Inglês

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