Molecular constants for the 1Σ+ ground state of the ArH+ ion |
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Authors: | Pavel Rosmus |
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Affiliation: | (1) Fachbereich Chemie, Johann Wolfgang Goethe-Universität, D-6000 Frankfurt (Main), Germany |
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Abstract: | From the near equilibrium PNO-CEPA potential and dipole moment curves the following molecular constants for the 1+ ground state of the ArH+ ion have been calculated: re = 1.286Å, e = 2723 cm–1, ee = 56 cm–1, D0 = 3.89 eV and 0 = 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).Dedicated to Prof. Hermann Hartmann on the occasion of his 65th birthday. |
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Keywords: | ArH+ ion, ground state of /content/h656671t6118r42q/xxlarge8764.gif" alt=" sim" align=" MIDDLE" BORDER=" 0" > |
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