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

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cond-mat.mtrl-sci2014★ 161 cited

Daubechies Wavelets for Linear Scaling Density Functional Theory

Stephan Mohr, Laura E. Ratcliff, Paul Boulanger +4

We demonstrate that Daubechies wavelets can be used to construct a minimal set of optimized localized contracted basis functions in which the Kohn-Sham orbitals can be represented…