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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A few hundred optimized non-orthogonal Slater determinants achieve lower variational energies than CCSD(T) for several molecules in double-zeta basis via an exact iterative orbital optimization and fourth-power scaling tensor contraction.
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Variational low-energy subspaces for chemically accurate excited states
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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Precise Quantum Chemistry calculations with few Slater Determinants
A few hundred optimized non-orthogonal Slater determinants achieve lower variational energies than CCSD(T) for several molecules in double-zeta basis via an exact iterative orbital optimization and fourth-power scaling tensor contraction.