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Multiconfiguration pair-density functional theory investigation of the electronic spectrum of MnO4

Electronic Structure - Modeling Properties

Publication Details

  • Authors: P. Sharma, D. G. Truhlar, and L. Gagliardi
  • Publication Number: 293
  • Year: 2018
  • Journal: J. Chem. Phys.

Full Citation

P. Sharma, D. G. Truhlar, and L. Gagliardi, Multiconfiguration pair-density functional theory investigation of the electronic spectrum of MnO4, J. Chem. Phys., 2018, 148, 124305. DOI: 10.1063/1.5021185