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Correlated-Participating-Orbitals Pair-Density Functional Method and Application to Multiplet Energy Splittings of Main-Group Divalent Radicals

Electronic Structure - Methods

Publication Details

  • Authors: J. L. Bao, A. Sand, L. Gagliardi, and D. G. Truhlar
  • Publication Number: 241
  • Year: 2016
  • Journal: J. Chem. Theory Comput.
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Full Citation

J. L. Bao, A. Sand, L. Gagliardi, and D. G. Truhlar, Correlated-Participating-Orbitals Pair-Density Functional Method and Application to Multiplet Energy Splittings of Main-Group Divalent Radicals, J. Chem. Theory Comput., 2016, 12, 4274–4283. DOI: 10.1021/acs.jctc.6b00569