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Dipole Moments and Transition Dipole Moments Calculated by Pair-Density Functional Theory with State Interaction

Electronic Structure - Methods

Publication Details

  • Authors: A. Lykhin, M. Baumgarten, D. Truhlar, and L. Gagliardi
  • Publication Number: 447
  • Year: 2023
  • Journal: J. of Phys. Chem. A
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Full Citation

A. Lykhin, M. Baumgarten, D. Truhlar, and L. Gagliardi, Dipole Moments and Transition Dipole Moments Calculated by Pair-Density Functional Theory with State Interaction, J. of Phys. Chem. A, 2023, 127, 4194–4205. DOI: 10.1021/acs.jpca.3c01142