Eur. Phys. J. D 15, 251-255 (2001)
https://doi.org/10.1007/s100530170173

Accurate calculation of the scattering length for the cooling of hydrogen atoms by lithium atoms

¹ Laboratoire de Physique Quantique (UMR 5626 du CNRS) , IRSAMC, université Paul Sabatier, 118 route de Narbonne, 31062 Toulouse Cedex 4, France
² Department of Physics, The University of Newcastle upon Tyne, Newcastle upon Tyne NE1 7RU, UK

Corresponding author: ^a gadea@irsamc.ups-tlse.fr

Received: 30 April 2001
Published online: 15 August 2001

Abstract

An improved ab initio calculation has been performed for the potential for the LiH a 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 LiH(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 potential is about half that calculated previously. Enhanced cooling by ⁷Li of trapped H atoms remains feasible.