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

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, Nat Commun, 2025, 16, 10832. DOI: 10.1038/s41467-025-65846-1