CITATION.bib

% Extended abstract describing DFTK along with a short summary of its features
@article{DFTKjcon,
  author = {Herbst, Michael F. and Levitt, Antoine and Cancès, Eric},
  doi = {10.21105/jcon.00069},
  journal = {Proc. JuliaCon Conf.},
  title = {DFTK: A Julian approach for simulating electrons in solids},
  volume = {3},
  pages = {69},
  year = {2021},
}

% Paper describing the calculation of response properties in DFTK.
% Used for forward-diff derivatives, `solve_ΩplusK_split` and `apply_χ0` functions.
@unpublished{ResponseCalculations,
  author = {Cancès, Eric and Herbst, Michael F. and Kemlin, Gaspard and Levitt, Antoine and Stamm, Benjamin},
  title = {Numerical Stability and Efficiency of Response Property Calculations in Density Functional Theory},
  year = {Submitted},
  note = {https://arxiv.org/abs/2210.04512},
}

% Paper describing the energy cutoff smearing method `BlowupCHV`
@unpublished{BlowupCHV,
  author = {Cancès, Eric and Hassan, Muhammad and Vidal, Laurent Vidal},
  title = {Modified-Operator Method for the Calculation of Band Diagrams of Crystalline Materials},
  year = {Submitted},
  note = {https://arxiv.org/abs/2210.00442},
}

% Paper describing the adaptive damping strategy implemented by
% the scf_potential_mixing_adaptive function
@article{AdaptiveDamping,
  author = {Herbst, Michael F. and Levitt, Antoine},
  doi = {10.1016/j.jcp.2022.111127},
  journal = {Journal of Computational Physics},
  title = {A robust and efficient line search for self-consistent field iterations},
  volume = {459},
  pages = {111127},
  year = {2022},
}

% Paper describing the HybridMixing, DielectricMixing and LdosMixing SCF preconditioners
% available inside DFTK
@article{HybridMixing,
  author = {Herbst, Michael F. and Levitt, Antoine},
  doi = {10.1088/1361-648x/abcbdb},
  journal = {J. Phys. Condens. Matter},
  title = {Black-box inhomogeneous preconditioning for self-consistent field iterations in density functional theory},
  volume = {33},
  pages = {085503},
  year = {2021},
}