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most citedPrediction of Photodynamics of 200 nm Excited Cyclobutanone with Linear Response Electronic Structure and Ab Initio Multiple Spawning

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physics.chem-ph2026

Non-Negative Least Squares Reweighting and Pruning of Quadrature Grids for Tensor Hypercontraction

Andreas Erbs Hillers-Bendtsen, Lixin Lu, Todd J. Martínez

Tensor hypercontraction provides an attractive four-center two-electron repulsion integral format that can lower the scaling of many electronic structure methods while only requiri…