Electronic Coupling Calculations for Bridge-Mediated Charge Transfer Using Constrained Density Functional Theory (CDFT) and Effective Hamiltonian Approaches at the Density Functional Theory (DFT) and Fragment-Orbital Density Functional Tight Binding (FODFTB) Level

  • Laura Berstis
  • , Natacha Gillet
  • , Xiaojing Wu
  • , Fruzsina Gajdos
  • , Alexander Heck
  • , Aurelien de la Lande
  • , Jochen Blumberger
  • , Marcus Elstner

Research output: Contribution to journal › Article › peer-review

50 Scopus Citations

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Chemistry