A non-negative least-squares optimization reweights and prunes quadrature grids to reproduce AO overlap matrices, yielding robust grids for tensor hypercontraction without manual design.
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Non-Negative Least Squares Reweighting and Pruning of Quadrature Grids for Tensor Hypercontraction
A non-negative least-squares optimization reweights and prunes quadrature grids to reproduce AO overlap matrices, yielding robust grids for tensor hypercontraction without manual design.