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Nonadiabatic Molecular Dynamics by Multiconfiguration Pair-Density Functional Theory

Electronic Structure - Methods Photochemistry, Spectroscopy, Dynamics

Publication Details

  • Authors: P. B. Calio, D. G. Truhlar, and L. Gagliardi
  • Publication Number: 415
  • Year: 2022
  • Journal: J. Chem. Theory Comput.

Full Citation

P. B. Calio, D. G. Truhlar, and L. Gagliardi, Nonadiabatic Molecular Dynamics by Multiconfiguration Pair-Density Functional Theory, J. Chem. Theory Comput., 2022, 18, 614–622. DOI: 10.1021/acs.jctc.1c01048