A theoretical study of Ar⁸⁺-acetylene collisions at 1.2 MeV: Ionization and dissociation dynamics

We theoretically study Ar⁸⁺-induced dissociation of C₂H₂ molecule at 1.2 MeV using the time-dependent density-functional theory non-adiabatically coupled to nuclear dynamics. We find that molecular dissociation depends strongly on the ionization at the initial stage and the collision configuration. A detailed analysis shows a correspondence between the charge state of [C₂H₂]^q+ and the final fragments. A remarkable impact parameter effect provides deep insights of bond breakup and electronic transport. We analyze two typical sequential dissociation channels reported in experiments by tracking structural and electronic dynamics in real time. Our results provide better understanding of experiments. Moreover, the comparison between various exchange-correlation functionals reveals that electrons' correlation and self-interaction do not significantly impact the initial ionization and fragment distribution in the present study.