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Calculation of the Zeeman Effect for Transition-Metal Complexes by Multiconfiguration Pair-Density Functional Theory

Electronic Structure - Methods

Publication Details

  • Authors: C. Zhou, D. Wu, L. Gagliardi, and D. G. Truhlar
  • Publication Number: 398
  • Year: 2021
  • Journal: J. Chem. Theory Comput.

Full Citation

C. Zhou, D. Wu, L. Gagliardi, and D. G. Truhlar, Calculation of the Zeeman Effect for Transition-Metal Complexes by Multiconfiguration Pair-Density Functional Theory, J. Chem. Theory Comput., 2021, 17, 5050–5063. DOI: 10.1021/acs.jctc.1c00208