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Calculation of quasi-diabatic states within the DFT/MRCI(2) framework: The QD-DFT/MRCI(2) method

Simon P Neville1, Michael S Schuurman1,2

  • 1National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6, Canada.

The Journal of Chemical Physics
|June 20, 2024
PubMed

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