Accurate calculation of the scattering length for the cooling of hydrogen atoms by lithium atoms |
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Authors: | FX Gadéa T Leininger AS Dickinson |
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Institution: | (1) Laboratoire de Physique Quantique, IRSAMC, université Paul Sabatier, 118 route de Narbonne, 31062 Toulouse Cedex 4, France, FR;(2) Department of Physics, The University of Newcastle upon Tyne, Newcastle upon Tyne NE1 7RU, UK, GB |
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Abstract: | An improved ab initio calculation has been performed for the potential for the LiH a 3Σ+ state, using two very large basis sets. The Basis Set Superposition Error (BSSE) correction has been determined for both
basis sets and the non-Born-Oppenheimer correction estimated to be negligible. The best potential is approximately 10% deeper
than the previous estimate. Vibrational energies and scattering lengths have been calculated for 6,7LiH(D) with both potentials, with and without the BSSE correction, and also with an estimated potential expected to bracket
the true potential. The 7LiH scattering length is estimated to be (45 ± 4)a0 and hence the low-energy cross-section in the best a 3Σ+ potential is about half that calculated previously. Enhanced cooling by 7Li of trapped H atoms remains feasible.
Received 30 April 2001 |
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Keywords: | PACS 34 20 Cf Interatomic potentials and forces – 34 50 -s Scattering of atoms and molecules |
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