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Lookup NU author(s): Professor Alan Dickinson
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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 (QSSE) 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 BSSPE correction, and also with an estimated potential expected to bracket the true potential. The 7LiH scattering length is estimated to be (45 ± 4)ao 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.
Author(s): Gadea FX, Leininger T, Dickinson AS
Publication type: Article
Publication status: Published
Journal: European Physical Journal D
Year: 2001
Volume: 15
Issue: 2
Pages: 251-255
ISSN (print): 1434-6060
ISSN (electronic): 1434-6079
Publisher: Springer
URL: http://dx.doi.org/10.1007/s100530170173
DOI: 10.1007/s100530170173
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