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Valence ππ* Excitations in Benzene Studied by Multiconfiguration Pair-Density Functional Theory

Electronic Structure - Methods

Publication Details

  • Authors: P. Sharma, V. Bernales, D. G. Truhlar, and L. Gagliardi
  • Publication Number: 313
  • Year: 2019
  • Journal: J. Phys. Chem. Lett.
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Full Citation

P. Sharma, V. Bernales, D. G. Truhlar, and L. Gagliardi, Valence ππ* Excitations in Benzene Studied by Multiconfiguration Pair-Density Functional Theory, J. Phys. Chem. Lett., 2019, 10, 75–81. DOI: 10.1021/acs.jpclett.8b03277