Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates

Wenlan Liu, Volker Settels, Philipp H. P. Harbach, Andreas Dreuw, Reinhold F. Fink, Bernd Engels. Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates. Journal of Computational Chemistry, 32(9):1971-1981, 2011. [doi]

@article{LiuSHDFE11,
  title = {Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates},
  author = {Wenlan Liu and Volker Settels and Philipp H. P. Harbach and Andreas Dreuw and Reinhold F. Fink and Bernd Engels},
  year = {2011},
  doi = {10.1002/jcc.21781},
  url = {http://dx.doi.org/10.1002/jcc.21781},
  tags = {systematic-approach},
  researchr = {https://researchr.org/publication/LiuSHDFE11},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {32},
  number = {9},
  pages = {1971-1981},
}