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Bridging the Gap Between Molecules and Materials in Quantum Chemistry with Localized Active Spaces

Electronic Structure - Methods

Publication Details

  • Authors: D. S. King, B. Jangid, M. R. Hermes, and L. Gagliardi
  • Publication Number: 482
  • Year: 2024
  • Journal: ChemRxiv
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Full Citation

D. S. King, B. Jangid, M. R. Hermes, and L. Gagliardi, Bridging the Gap Between Molecules and Materials in Quantum Chemistry with Localized Active Spaces, ChemRxiv, 2024. DOI: 10.26434/chemrxiv-2024-rhgvg