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Self-Interaction Error in Density Functional Theory: An Appraisal

Electronic Structure - Methods

Publication Details

  • Authors: J. L. Bao, L. Gagliardi, and D. G. Truhlar
  • Publication Number: 296
  • Year: 2018
  • Journal: J. Phys. Chem. Lett.
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Full Citation

J. L. Bao, L. Gagliardi, and D. G. Truhlar, Self-Interaction Error in Density Functional Theory: An Appraisal, J. Phys. Chem. Lett., 2018, 9, 2353–2358. DOI: 10.1021/acs.jpclett.8b00242