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SplitGAS Method for Strong Correlation and the Challenging Case of Cr2

Electronic Structure - Methods

Publication Details

  • Authors: G. Li Manni, D. Ma, F. Aquilante, Francesco, J. Olsen, and L. Gagliardi
  • Publication Number: 162
  • Year: 2013
  • Journal: J. Chem. Theory Comput.
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Full Citation

G. Li Manni, D. Ma, F. Aquilante, Francesco, J. Olsen, and L. Gagliardi, SplitGAS Method for Strong Correlation and the Challenging Case of Cr2, J. Chem. Theory Comput., 2013, 9, 3375–3384. DOI: 10.1021/ct400046n