Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification: Active Space Orbitals
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The orbitals (in Molden format) used to perform FCI-FRI calculations on the oxo-Mn(salen) complex described in our manuscript, Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification, available on arxiv.
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2022-06-13
