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

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.