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Alfredo A. Correa edited section_Computational_and_Theoretical_Details__.tex
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The Kohn-Sham (KS) effective potential $V_{KS}[n](\textbf R, \textbf r, t)$ is given as
\begin{equation}
V_\text{KS}[n](\{\textbf R_i(t)\}_i, \textbf r, t) =
\textit{V}_{ext}(\{\textbf \textit{V}_\text{ext}(\{\textbf R_i(t)\}_i, \textbf r, t) + \textit{V}_\text{H}[n](\textbf r, t) +
\textit{V}_{XC}[n](\textbf \textit{V}_\text{XC}[n](\textbf r, t)
\label{eq:tdks3}
\end{equation}
where the external potential is $V_\text{ext}(\{\textbf R_i(t)\}_i, \textbf r, t)$ due to ionic core potential (with ions at positions $\mathbf R_i(t)$), $V_{H}(\textbf r, t)$ is the Hartree potential which describes the classical electrostatic interactions between electrons and $\textit{V}_{xc}(\textbf r, t)$ is the exchange-correlation (XC) potential. The spatial and time coordinates are represented by $\mathbf r$ and $t$ respectively.
The instantaneous density at time $t$ is denoted by
$n(=n(t))$. $n(t)$.
Exchange-correlation potential is approximated by the LDA (cite PerdewZunger here), the singular (Coulomb) external potential is approximated by a norm-conserving pseudopotential, with $XX$ explicit electrons per Cu atom in the valence band.
The simulations of the collisions consist of a well-defined trajectories of the projectile (proton) in the metallic bulk.