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Multiconfiguration Pair-Density Functional Theory is as Acccurate as CASPT2 for Electronic Excitation

Electronic Structure - Methods

Publication Details

  • Authors: C. E. Hoyer, S. Ghosh, D. G. Truhlar, and L. Gagliardi
  • Publication Number: 229
  • Year: 2016
  • Journal: J. Phys. Chem. Lett.

Full Citation

C. E. Hoyer, S. Ghosh, D. G. Truhlar, and L. Gagliardi, Multiconfiguration Pair-Density Functional Theory is as Acccurate as CASPT2 for Electronic Excitation, J. Phys. Chem. Lett., 2016, 7, 586–591. DOI: 10.1021/acs.jpclett.5b02773