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Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, PO Box 9502, 2300 RA Leiden, The Netherlands, Leiden Observatory, Leiden University, PO Box 9513, 2300 RA Leiden, The Netherlands
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Orbital-optimized DFT can now accurately model CO2 excited states and dissociation curves at a fraction of the computational cost of traditional multireference methods.
