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• 08:53, 25 February 2025 Ftran talk contribs created page Construction:Category:Exchange-correlation functionals (Created page with "In the Kohn-Sham (KS) formulation of density-functional theory (DFT){{cite|hohenberg:pr:1964}}{{cite|kohn:pr:1965}}, the total energy is given by :<math> E_{\rm tot}^{\rm KS-DFT} = -\frac{1}{2}\sum_{i}\int\psi_{i}^{*}({\bf r})\nabla^{2}\psi_{i}({\bf r})d^{3}r - \sum_{A}\int\frac{Z_{A}}{\left\vert{\bf r}-{\bf R}_{A}\right\vert}n({\bf r})d^{3}r + \frac{1}{2}\int\int\frac{n({\bf r})n({\bf r'})}{\left\vert{\bf r}-{\bf r'}\right\vert}d^{3}rd^{3}r' + E_{\rm xc} + \frac{1}{2}\s...")