Single and double charge transfer in the Ne 2 + + He collision within time-dependent density-functional theory

We calculate the charge-transfer cross sections for the Ne2+ + He collision. To this end, we employ Ehrenfest molecular dynamics with time-dependent density-functional theory. The active electrons of the projectile are handled by applying an initial velocity to the Kohn-Sham orbitals via a Galilean boost. The dynamical calculations are performed in an inverse collision framework-the reference frame considers Ne2+ to be initially at rest, which ensures numerically converged final-time scattering states. The charge-transfer probabilities are extracted by extending the particle number projection technique to be able to handle the degenerate Ne2+ ion. Compared with experimental data available at 10-3000 keV, a fairly good agreement is found for the calculated single- and double-charge transfer cross sections, superior to other theoretical calculations for this Ne2+ + He collision. A time-resolved analysis of the charge-transfer probabilities finds that ionization to the continuum also takes place after the charge transfer has occurred. To account for it, the final scattering states should be followed for a long time, approximately 350 fs, until they stabilize.