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Edwin E. Quashie edited section_Computational_and_Theoretical_Details__1.tex
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\section{Computational and Theoretical Details}
%In this work we employed the formalism of TDDFT coupled with Ehrenfest molecular dynamics (EMD) \cite{Gross_1996,Calvayrac_2000,Mason_2007,Alonso_2008,Andrade_2009} to simulate the collision processes between the target electrons and the ion (proton).
%Within the TDDFT-EMD method, the dynamics of the electrons are treated quantum mechanically described by TDDFT and the nuclei are point particles treated classically using EMD.
%We used this method to calculate most microscopic quantities along the process (forces, electronic density, charges, etc), in particular, we report the calculation of $S_\text{e}$ that can be directly compared with experiments.
%We compared our results with those contained in \textsc{SRIM} database for the case of proton in $\mathrm{Cu}$.
During the course of the simulation, we monitor the energy transferred to the electrons of the target due to a constant velocity moving proton.
%At the time scales of the simulations, the large mass of the proton guarantees a change in its velocity that is relatively small.