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most citedDaubechies wavelets as a basis set for density functional pseudopotential calculations

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math.NA2008

Direct minimization for calculating invariant subspaces in density functional computations of the electronic structure

Reinhold Schneider, Thorsten Rohwedder, Alexej Neelov +1

We analyse three related preconditioned steepest descent algorithms, which are partially popular in Hartree-Fock and Kohn-Sham theory as well as invariant subspace computations, fr…