Abstract
From the near equilibrium PNO-CEPA potential and dipole moment curves the following molecular constants for the 1Σ+ ground state of the ArH+ ion have been calculated: r e = 1.286Å, ω e = 2723 cm−1, ω e χ e = 56 cm−1, D 0 = 3.89 eV and μ0 = 2.384 D. The rotationless radiative lifetimes of the five lowest vibrational states are predicted to be 2.28, 1.2, 0.85, 0.64, 0.46 for ArH+ and 9.09, 4.71, 3.27, 2.55 and 2.11 for ArD+, respectively (all values are in milliseconds and in ascending order of the vibrational levels).
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References
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Dedicated to Prof. Hermann Hartmann on the occasion of his 65th birthday.
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Rosmus, P. Molecular constants for the 1Σ+ ground state of the ArH+ ion. Theoret. Chim. Acta 51, 359–362 (1979). https://doi.org/10.1007/BF00548944
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DOI: https://doi.org/10.1007/BF00548944