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Variational low-energy subspaces for chemically accurate excited states

physics.chem-ph · 2026-06-03 · unverdicted · novelty 7.0

EXIDOS achieves chemical accuracy for multiple excited states in small molecules by variational optimization of low-energy subspaces using non-orthogonal Slater determinants without explicit orthogonality or symmetry constraints.

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  • Variational low-energy subspaces for chemically accurate excited states physics.chem-ph · 2026-06-03 · unverdicted · none · ref 39

    EXIDOS achieves chemical accuracy for multiple excited states in small molecules by variational optimization of low-energy subspaces using non-orthogonal Slater determinants without explicit orthogonality or symmetry constraints.