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Multi-Configuration Pair-Density Functional Theory

Electronic Structure - Methods

Publication Details

  • Authors: G. Li Manni, R. K. Carlson, S. Luo, D. Ma, J. Olsen, D. G. Truhlar, and L. Gagliardi
  • Publication Number: 185
  • Year: 2014
  • Journal: J. Chem. Theory Comput.
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Full Citation

G. Li Manni, R. K. Carlson, S. Luo, D. Ma, J. Olsen, D. G. Truhlar, and L. Gagliardi, Multi-Configuration Pair-Density Functional Theory, J. Chem. Theory Comput., 2014, 10, 3669–3680. DOI: 10.1021/ct500483t