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In this article, we provide a priorierror estimates for the spectral and pseudospectral Fourier (also called planewave) discretizations of the periodic Thomas-Fermi-von Weizsäcker (TFW) model and for the spectral discretization of the periodic Kohn-Sham model, within the local density approximation (LDA). These models allow to compute approximations of the electronic ground state energy and density of molecular systems in the condensed phase. The TFW model is strictly convex with respect to the...
In this article, we provide a priori error estimates for the spectral and
pseudospectral Fourier (also called planewave) discretizations of the
periodic Thomas-Fermi-von Weizsäcker (TFW) model and for the spectral
discretization of the periodic Kohn-Sham
model, within the local density approximation (LDA). These models
allow to compute approximations of the electronic ground state energy and density
of molecular systems in the condensed phase. The TFW model is strictly
convex with respect to the...
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