Lf. Errea et al., TOTAL AND PARTIAL CROSS-SECTIONS OF ELECTRON-TRANSFER PROCESSES WITH HYDROGEN GAS TARGETS - BE4-2(+H), Physica scripta. T, T62, 1996, pp. 33-38
We report the implementation of programs to treat electronic transitio
ns in ion-molecule collisions and the calculation of vibrationally-res
olved partial cross sections. This includes the ab initio calculation
of non-adiabatic coup lings, the implementation of a block-diagonaliza
tion procedure, and the evaluation of vibrational transition probabili
ties. Using a two-state basis, we present some preliminary results on
the Be4+ + H-2(nu=0, L=0)-->Be3+(3l)+H-2(+)(nu, Sigma(LM)) reaction. T
hese show that for nuclear velocities upsilon < 0.2 a.u. vibration can
not be ignored, even though anisotropy effects are small. The reason i
s the strong dependence of the electronic transition amplitudes on the
H-H distance.