Edwin Quashie edited section_Computational_and_Theoretical_Details__.tex  almost 9 years ago

Commit id: bcfaaa9a6da73bb6145ea8fbf29c9e7b2b861630

deletions | additions      

       

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 $\mathrm(E)$ $\mathrm{E}$  as a function of projectile displacement $\mathrm(x)$ $\mathrm{x}$  enables us to extract the electronic stopping power \begin{equation}  S(x) S_e(x)  = \frac{dE(x)}{dx} \label{eq:stopping}   \end{equation}