Nontrivial many-electron irreducible representations exclude single-reference closed-shell descriptions and serve as a symmetry-based diagnostic for multireference character in diradicaloid models.
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Irreducible Representations as Multireference Indicators for Diradicaloid Systems
Nontrivial many-electron irreducible representations exclude single-reference closed-shell descriptions and serve as a symmetry-based diagnostic for multireference character in diradicaloid models.