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Edwin E. Quashie edited section_Computational_and_Theoretical_Details__.tex
over 8 years ago
Commit id: 23286913742fb5288976a2527cb2264a00c2777f
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\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 comprising the classical electrostatic interactions between electrons and $\textit{V}_{xc}(\textbf r, t)$ denotes the exchange-correlation (XC) potential. The spatial and time coordinates are represented by $\mathbf r$ and $t$ respectively.
The instantaneous density at At time $t$
the instantaneous density is given by $n(t)$.
The exchange-correlation potential used in this study is due to Perdew-Burke-Ernzerhof (PBE) ~\cite{Perdew_1992,Perdew_1996}, using a norm-conserving pseudopotential, with $17$ explicit electrons per Cu atom in the valence band, the coulomb potential is generated.
The simulations of the collisions consist of a well-defined trajectories of the projectile (proton) in the metallic bulk.