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Alfredo A. Correa edited section_Computational_and_Theoretical_Details__.tex
over 8 years ago
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The time-dependent KS equation was then solved numerically by explicit time-integration scheme as described in \cite{Schleife_2012}. A time step of $0.121~\mathrm{attoseconds}$ was used which is below the stability limit for the numerical explicit time-integration scheme for these type of basis set. The wave functions were then propagated for several femtoseconds.
The total electronic energy ($E$) of the electronic system changes as a function of the projectile position
$\mathrm(x)$ ($x$) since the projectile deposits energy into the electronic system as it moves through the host atoms. The increase of $E$ as a function of projectile displacement $x$ enables us to extract the electronic stopping power
\begin{equation}
S_e(x) = \frac{dE(x)}{dx}
\label{eq:stopping}
\end{equation}
$S_e(x)$ $S_\text{e}(x)$ has the dimension of a force
$(E_h/a_0)$ $(E_\text{h}/a_0)$ and it is the drag force acting on the projectile.