Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification: Active Space Orbitals
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https://zenodo.org/record/6638518
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资源简介：
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.
创建时间：
2022-06-14
