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State-Interaction Pair-Density Functional Theory Can Accurately Describe a Spiro Mixed Valence Compound

Electronic Structure - Methods

Publication Details

  • Authors: S. S. Dong, K. Benchen Huang, L. Gagliardi, and D. G. Truhlar
  • Publication Number: 326
  • Year: 2019
  • Journal: J. Phys. Chem. A

Full Citation

S. S. Dong, K. Benchen Huang, L. Gagliardi, and D. G. Truhlar, State-Interaction Pair-Density Functional Theory Can Accurately Describe a Spiro Mixed Valence Compound, J. Phys. Chem. A, 2019, 123, 2100–2106. DOI: 10.1021/acs.jpca.9b01301