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Multicrossing Landau-Zener and close-coupling calculations of electron transfer in collisions

Cross sections for electron capture from Li(2s,2p) by proton impact have been calculated for energies in the range 10 eV-10 keV within the atomic orbital close-coupling (AO-CC) and the multicrossing Landau-Zener (MLZ) one-electron models. For the excited Li(2p) target the long-range mixing of the magnetic sublevels has been included in the MLZ calculations by means of a locking-radius model. The MLZ approximation to the AO-CC calculations is found to be appropriate at energies of about 10 eV. When diagonalizing the effective electronic Hamiltonian within the close-coupling basis a non-physical potential curve is disclosed. The cross section for capture from Li(2s) in particular is shown to be sensitive to this curve for energies below 50 eV. It is demonstrated how this problem is eliminated by including a pseudo-Li(1s) state in the AO-CC basis set.