A first-order Taylor expansion of nonlocal kinetic energy functionals about a sum of free-atom densities lets OF-DFT compute the costly nonlocal potential once, giving large speedups with minimal accuracy loss.
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Fast and stable tight-binding framework for nonlocal kinetic energy density functional reconstruction in orbital-free density functional calculations
A first-order Taylor expansion of nonlocal kinetic energy functionals about a sum of free-atom densities lets OF-DFT compute the costly nonlocal potential once, giving large speedups with minimal accuracy loss.