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Alfredo A. Correa edited The_energy_transfered_to_the__1.tex
over 8 years ago
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\end{aligned}
\end{equation}
where the external potential is
$V_\text{ext}(\{\textbf R_J(t)\}_J, \textbf r, $V_\text{ext}(\{\mathbf{R}_J(t)\}_J, \mathbf{r}, t)$ due to ionic core potential (with ions at positions $\mathbf R_J(t)$), $V_\text{H}(\textbf r, t)$ is the Hartree potential comprising the classical electrostatic interactions between electrons and $\textit{V}_\text{XC}(\textbf r, t)$ denotes the exchange-correlation (XC) potential. The spatial and time coordinates are represented by $\mathbf r$ and $t$ respectively.
At time $t$ the instantaneous density is given by
$n(t)$. $n(\mathbf{r}, t) = \sim_i \psi($.
The XC potential used in this study is due to Perdew-Burke-Ernzerhof (PBE) ~\cite{Perdew_1992,Perdew_1996}, using a norm-conserving Troullier-Martins pseudopotential, with $17$ explicit electrons per $\mathrm{Cu}$ atom (not necessarily all 17 electrons participate in the process as we will discuss later).