Edwin E. Quashie edited The_energy_transfered_to_the__1.tex  over 8 years ago

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where the external potential is $V_\text{ext}(\{\textbf R_J(t)\}_J, \textbf r, t)$ 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 $\textit{V}_{XC}(\textbf r, t)$ 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 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).