Abstract
The charge-transfer in low-energy ( to eV/amu) collisions is investigated using a quasimolecular approach for the as well as the first two singlet states. The diabatic potential energy curves of the HeH molecular ion are obtained from the adiabatic potential energy curves and the nonadiabatic radial coupling matrix elements using a two-by-two diabatization method, and a time-dependent wave-packet approach is used to calculate the state-to-state cross sections. We find a strong dependence of the charge-transfer cross section on the principal and orbital quantum numbers and of the initial or final state. We estimate the effect of the nonadiabatic rotational couplings, which is found to be important even at energies below eV/amu. However, the effect is small on the total cross sections at energies below eV/amu. We observe that to calculate charge-transfer cross sections in an manifold, it is only necessary to include states with , and we discuss the limitations of our approach as the number of states increases.
3 More- Received 28 April 2010
DOI:https://doi.org/10.1103/PhysRevA.82.012708
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