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Multiconfiguration pair-density functional theory for doublet excitation energies and excited state geometries: the excited states of CN

Electronic Structure - Modeling Properties Photochemistry, Spectroscopy, Dynamics

Publication Details

  • Authors: J. J. Bao, L. Gagliardi, and D. G. Truhlar
  • Publication Number: 283
  • Year: 2017
  • Journal: Phys. Chem. Chem. Phys.

Full Citation

J. J. Bao, L. Gagliardi, and D. G. Truhlar, Multiconfiguration pair-density functional theory for doublet excitation energies and excited state geometries: the excited states of CN, Phys. Chem. Chem. Phys., 2017, 19, 30089–30096. DOI: 10.1039/C7CP05156E