Atoms-in-molecules analysis for planewave DFT calculations - A numerical approach on a successively interpolated charge density grid

Wai-Leung Yim, Thorsten Klüner. Atoms-in-molecules analysis for planewave DFT calculations - A numerical approach on a successively interpolated charge density grid. Journal of Computational Chemistry, 29(8):1306-1315, 2008. [doi]

@article{YimK08,
  title = {Atoms-in-molecules analysis for planewave DFT calculations - A numerical approach on a successively interpolated charge density grid},
  author = {Wai-Leung Yim and Thorsten Klüner},
  year = {2008},
  doi = {10.1002/jcc.20889},
  url = {http://dx.doi.org/10.1002/jcc.20889},
  tags = {analysis, systematic-approach},
  researchr = {https://researchr.org/publication/YimK08},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {29},
  number = {8},
  pages = {1306-1315},
}