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Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory

Electronic Structure - Methods Photochemistry, Spectroscopy, Dynamics

Publication Details

  • Authors: P. B. Calio, M. R. Hermes, J. J. Bao, I. F. Galván, R. Lindh, D. G. Truhlar, and L. Gagliardi
  • Publication Number: 468
  • Year: 2024
  • Journal: J. Phys. Chem. A
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Full Citation

P. B. Calio, M. R. Hermes, J. J. Bao, I. F. Galván, R. Lindh, D. G. Truhlar, and L. Gagliardi, Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory, J. Phys. Chem. A, 2024, 128, 1698–1706. DOI: 10.1021/acs.jpca.3c07048