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Analytic Dipole Moments For Complete Active Space Linearized Pair-Density Functional Theory

Electronic Structure - Methods Photochemistry, Spectroscopy, Dynamics

Publication Details

  • Authors: H. S. Clifford, M. R. Hennefarth, D. G. Truhlar, and L. Gagliardi
  • Publication Number: 508
  • Year: 2025
  • Journal: J. Phys. Chem. Lett.

Full Citation

H. S. Clifford, M. R. Hennefarth, D. G. Truhlar, and L. Gagliardi, Analytic Dipole Moments For Complete Active Space Linearized Pair-Density Functional Theory, J. Phys. Chem. Lett., 2025, 16, 10400–10409. DOI: 10.1021/acs.jpclett.5c02466