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Alfredo A. Correa edited The_simulations_of_the_collisions__.tex
over 8 years ago
Commit id: c25e8541e839bd25f30ab999f61e33b3fa724d00
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Following the scheme of Ref.~\cite{Schleife_2012} the TDKS equation (see Eq. \ref{eq:tdks1}) was solved numerically
with a time step of, at most, $0.121~\mathrm{attoseconds}$ was used (which is within the stability limit for the numerical explicit time-integration scheme for these type of basis set). High velocity points are simulated with smaller time steps.
The wavefunctions were then propagated for up to
several tens of femtoseconds.
The total electronic energy ($E$) of the system changes as a function of the projectile position ($x$) since the projectile
(forced to maintain its velocity) 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 as an average quantity.
\begin{equation}
S_\text{e} =
\bar{\mathrm{d}E(x)/\mathrm{d}x} \overline{\mathrm{d}E(x)/\mathrm{d}x}
\label{eq:stopping}
\end{equation}