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Molecular constants for the 1Σ+ ground state of the ArH+ ion
Authors:Pavel Rosmus
Affiliation:(1) Fachbereich Chemie, Johann Wolfgang Goethe-Universität, D-6000 Frankfurt (Main), Germany
Abstract:From the near equilibrium PNO-CEPA potential and dipole moment curves the following molecular constants for the 1Sgr+ ground state of the ArH+ ion have been calculated: re = 1.286Å, ohgre = 2723 cm–1, ohgrechie = 56 cm–1, D0 = 3.89 eV and mgr0 = 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.
Keywords:ArH+ ion, ground state of   /content/h656671t6118r42q/xxlarge8764.gif"   alt="  sim"   align="  MIDDLE"   BORDER="  0"  >
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