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Revisiting Artifacts of Kohn-Sham Density Functionals for Biosimulation. [PDF]
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Delocalization error poisons the density-functional many-body expansion. [PDF]
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Symmetry Breaking in a Triferrous Extended Metal Atom Chain. [PDF]
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Data-Driven Improvement of Local Hybrid Functionals: Neural-Network-Based Local Mixing Functions and Power-Series Correlation Functionals. [PDF]
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