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The Localized Active Space Method with Unitary Selective Coupled Cluster

Electronic Structure - Methods Quantum Computing

Publication Details

  • Authors: A. Mitra, R. D’Cunha, Q. Wang, M. R. Hermes, Y. Alexeev, S. K. Gray, M. Otten, and L. Gagliardi
  • Publication Number: 485
  • Year: 2024
  • Journal: J. Chem. Theory Comput.
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Full Citation

A. Mitra, R. D’Cunha, Q. Wang, M. R. Hermes, Y. Alexeev, S. K. Gray, M. Otten, and L. Gagliardi, The Localized Active Space Method with Unitary Selective Coupled Cluster, J. Chem. Theory Comput., 2024, 20, 7865–7875. DOI: 10.1021/acs.jctc.4c00528