Constrained Density Functional Theory: a potential-based self-consistency approach

Gonze, Xavier; Seddon, Benjamin; Elliott, James A; Tantardini, Christian; Shapeev, Alexander V

by Xavier Gonze, Benjamin Seddon, James A Elliott, Christian Tantardini, Alexander V Shapeev

Reference:

Constrained Density Functional Theory: a potential-based self-consistency approach (Xavier Gonze, Benjamin Seddon, James A Elliott, Christian Tantardini, Alexander V Shapeev), Journal of Chemical Theory and Computation, ACS Publications, volume 18, 2022.

Bibtex Entry:

@article{gonze2022constrained,
  title={Constrained Density Functional Theory: a potential-based self-consistency approach},
  author={Gonze, Xavier and Seddon, Benjamin and Elliott, James A and Tantardini, Christian and Shapeev, Alexander V},
  journal={Journal of Chemical Theory and Computation},
  volume={18},
  number={10},
  pages={6099--6110},
  year={2022},
  publisher={ACS Publications}
}