Normic inequality of two-dimensional viscosity operator.
Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models
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...
Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models
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...
Numerical Approximation of a Fractional-In-Space Diffusion Equation, I
2000 Mathematics Subject Classification: 26A33 (primary), 35S15 (secondary)This paper provides a new method and corresponding numerical schemes to approximate a fractional-in-space diffusion equation on a bounded domain under boundary conditions of the Dirichlet, Neumann or Robin type. The method is based on a matrix representation of the fractional-in-space operator and the novelty of this approach is that a standard discretisation of the operator leads to a system of linear ODEs with the matrix...