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

Commit id: 1fa09eef9915e5ea30fc66537f17bfd66fd3a6ea

deletions | additions      

       

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 Cu $\mathrm{Cu}$  atom.