A perturbation-method-based post-processing for the planewave discretization of Kohn-Sham models
DOI10.1016/J.JCP.2015.12.012zbMATH Open1352.65005OpenAlexW2196105965WikidataQ60146765 ScholiaQ60146765MaRDI QIDQ729403FDOQ729403
Authors: É. Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralík 
Publication date: 20 December 2016
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.jcp.2015.12.012
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post-processingperturbation methodnonlinear eigenvalue problemdensity-functional theoryplanewave approximation
Cites Work
- KSSOLV -- a MATLAB toolbox for solving the Kohn-Sham equations
- Title not available (Why is that?)
- Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models
- Title not available (Why is that?)
- Title not available (Why is that?)
- A mathematical perspective on density functional perturbation theory
Cited In (7)
- Analysis of the Feshbach-Schur method for the Fourier spectral discretizations of Schrödinger operators
- Energy-adaptive Riemannian optimization on the Stiefel manifold
- An overview of \textit{a posteriori} error estimation and post-processing methods for nonlinear eigenvalue problems
- A perturbation-method-based a posteriori estimator for the planewave discretization of nonlinear Schrödinger equations
- An adaptive planewave method for electronic structure calculations
- Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018
- Discretization error cancellation in the plane-wave approximation of periodic Hamiltonians with Coulomb singularities
Uses Software
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