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Second Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions

Electronic Structure - Methods

Publication Details

  • Authors: D. Ma, G. Li Manni, J. Olsen, and L. Gagliardi
  • Publication Number: 242
  • Year: 2016
  • Journal: J. Chem. Theory Comput.

Full Citation

D. Ma, G. Li Manni, J. Olsen, and L. Gagliardi, Second Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions, J. Chem. Theory Comput., 2016, 12, 3208–3213. DOI: 10.1021/acs.jctc.6b00382