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Edwin Quashie edited section_Computational_and_Theoretical_Details__.tex
almost 9 years ago
Commit id: c44db1f29617127e0be8e83331a6d0d4d290c354
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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 $0.121~attoseconds$ 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 $\mathrm(E)$ of the electronic system changes as a function of the projectile position $\mathrm(x)$ since the projectile deposits energy into the electronic system as it moves through the host atoms. The increase of $\mathrm{E}$ as a function of projectile displacement $\mathrm
x {x} $ enables us to extract the electronic stopping power
\begin{equation}
S_e(x) = \frac{dE(x)}{dx}
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