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Alfredo A. Correa edited The_energy_transfered_to_the__1.tex
over 8 years ago
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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 $\mathbf R_i(t)$), $V_\text{H}(\textbf r, t)$ 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.
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 Troullier-Martins pseudopotential, with 17 explicit electrons per $\mathrm{Cu}$
atom. atom (not necessarily all 17 electrons participate in the process as we will discuss later).