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We study the time-dependent neutralization of a slow highly charged ion that penetrates a hexagonal hollow-centred graphene nanoflake. To compute the ultrafast charge transfer dynamics, we apply an effective Hubbard nanocluster model and use the method of nonequilibrium Green functions (NEGF) in conjunction with an embedding self-energy scheme which allows one to follow the temporal changes of the number of electrons in the nanoflake. We perform extensive simulations of the charge transfer dynamics for a broad range of ion charge states and impact velocities. The results are used to put forward a simple semi-analytical model of the neutralization dynamics that is in very good agreement with transmission experiments, in which highly charged xenon ions pass through sheets of single-layer graphene.
A combined nonequilibrium Green functions-Ehrenfest dynamics approach is developed that allows for a time-dependent study of the energy loss of a charged particle penetrating a strongly correlated system at zero and finite temperature. Numerical resu
We present a theoretical framework and implementation details for self-energy embedding theory (SEET) with the GW approximation for the treatment of weakly correlated degrees of freedom and configuration interactions solver for handing the strongly c
Remaining within the pure hydrodynamic approach, we formulate a self-consistent model for simulating the dynamic behavior of matter passing through metastable states in the two-phase liquid-vapor region of the phase diagram. The model is based on the
We investigated the impact of surface oxygen on the ion yield for He$^+$ ions scattered from different single crystalline surfaces in low-energy ion scattering. Initially clean Al(111) and Ta(111) were exposed to molecular oxygen and ion spectra for
A detailed-level collisional-radiative model for the M1 transition spectrum of the Ca-like W$^{54+}$ ion as observed in an electron beam ion trap (EBIT) was constructed based on atomic data calculated by the relativistic configuration interaction met