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Edwin Quashie edited section_Computational_and_Theoretical_Details__.tex
over 8 years ago
Commit id: 534eb19413b5918b00eeb809d3f57337e01a1e06
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\label{eq:tdks3}
\end{equation}
where the external potential is $\textit{V}_{ext}(\textbf r, t)$ due to ionic core potential, $\textit{V}_{H}(\textbf r, t)$ 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 coordinate and time are represented by $\textbf r$ and $t$ respectively.
The simulations of the collisions consist of a well-defined trajectories of the projectile (proton) in the metallic bulk. The calculations were done using the code \textsc{Qbox}\cite{Gygi_2008} with time-dependent modifications \cite{Schleife_2012}.
The Kohn-Sham (KS) orbitals are expanded in a supercell plane-wave basis.
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