Discretization Error Cancellation in the Plane-Wave Approximation of Periodic Hamiltonians with Coulomb Singularities
Author:
Publisher
Springer Science and Business Media LLC
Subject
Computational Theory and Mathematics,General Engineering,Theoretical Computer Science,Software,Applied Mathematics,Computational Mathematics,Numerical Analysis
Link
http://link.springer.com/content/pdf/10.1007/s10915-019-00959-6.pdf
Reference17 articles.
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3. Cancès, E., Chakir, R., Maday, Y.: Numerical analysis of the planewave discretization of some orbital-free and Kohn–Sham models. ESAIM Math. Model. Numer. Anal. 46(2), 341–388 (2012)
4. Cancès, E., Dusson, G.: Discretization error cancellation in electronic structure calculation: toward a quantitative study. ESAIM Math. Model. Numer. Anal. 51(5), 1617–1636 (2017)
5. Cancès, E., Dusson, G., Maday, Y., Stamm, B., Vohralík, M.: A perturbation-method-based post-processing for the planewave discretization of Kohn–Sham models. J. Comput. Phys. 307, 446–459 (2016)
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