Alfredo A. Correa edited The_energy_transfered_to_the__1.tex  over 8 years ago

Commit id: c77f95ec8b43ef90368a4f150645a82450523b7f

deletions | additions      

       

\label{eq:tdks3}  \end{equation}  where the external potential is $V_\text{ext}(\{\textbf R_i(t)\}_i, R_J(t)\}_J,  \textbf r, t)$ due to ionic core potential (with ions at positions $\mathbf R_i(t)$), R_J(t)$),  $V_\text{H}(\textbf r, t)$ is the Hartree potential comprising the classical electrostatic interactions between electrons and $\textit{V}_{xc}(\textbf $\textit{V}_{XC}(\textbf  r, t)$ 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 (not necessarily all 17 electrons participate in the process as we will discuss later).