Publications

This page contains a list of publications dealing with DFTK or which make use of DFTK. Feel free to drop us a line if you want your work to be added here. To cite DFTK please use .

• M. F. Herbst and A. Levitt. Black-box inhomogeneous preconditioning for self-consistent field iterations in density functional theory (2020). ArXiv:2009.01665 (Supplementary material and computational scripts).

• M. F. Herbst, A. Levitt and E. Cancès. A posteriori error estimation for the non-self-consistent Kohn-Sham equations. Faraday discussions, in press (2020). ArXiv:2004.13549. (Reference implementation).

• E. Cancès, G. Kemlin and A. Levitt. Convergence analysis of direct minimization and self-consistent iterations (2020). ArXiv:2004.09088.