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Alfredo A. Correa edited Even_today_the_inclusion_of__.tex
almost 8 years ago
Commit id: 60eed4201108d806420bda7f99cfbb6fba02f224
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%It is an attractive method because it is both self-consistency and non-perturbative \cite{Kohn_1965} allowing for an atomistic \emph{ab initio} description at a reasonable computational cost for simulation cells below a few hundred atoms. Alternatively, time dependent tight-binding have been proposed as well to overcome some size limitations \cite{Mason_2012} at the price of additional approximations.
In studying the role of ion-solid interactions
of $\mathrm{H^+}$ in
$\mathrm{H^+ + Al}$, $\mathrm{Al}$, Correa \emph{et al.} \cite{Correa_2012} have shown that the electronic excitations affect the interatomic forces relative to the adiabatic outcome.
Recently, Schleife \emph{et al.} \cite{Schleife_2015} have calculated the electronic stopping power ($S_\text{e}$) of $\mathrm{H}$ and $\mathrm{He}$ projectiles including
TDDFT non-adiabatic electron dynamics and found that off-channeling trajectories \emph{along with} the inclusion of semicore electrons enhance $S_\text{e}$, resulting in much better agreement with the \textsc{Srim} experimental and modeled data \cite{Ziegler_2010} in a wide range of energies.
In this case we concentrate in a metal with a richer electronic band structure around the Fermi energy, such as $\mathrm{Cu}$.