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Keywords: Finite-elements Kohn–Sham Density functional theory GÀconvergence a b s t r a c t We present a real-space, non-periodic, finite-element formulation for Kohn–Sham density functional theory (KS-DFT). We transform the original variational problem into a local saddle-point problem, and show its well-posedness by proving the existence of minimizers.(More)