Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals

Éric Brémond, Alistar Ottochian, Ángel J. Pérez-Jiménez, Ilaria Ciofini, Giovanni Scalmani, Michael J. Frisch, Juan Carlos Sancho-García, Carlo Adamo. Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals. Journal of Computational Chemistry, 42(14):970-981, 2021. [doi]

@article{BremondOPCSFSA21a,
  title = {Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals},
  author = {Éric Brémond and Alistar Ottochian and Ángel J. Pérez-Jiménez and Ilaria Ciofini and Giovanni Scalmani and Michael J. Frisch and Juan Carlos Sancho-García and Carlo Adamo},
  year = {2021},
  doi = {10.1002/jcc.26517},
  url = {https://doi.org/10.1002/jcc.26517},
  researchr = {https://researchr.org/publication/BremondOPCSFSA21a},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {42},
  number = {14},
  pages = {970-981},
}