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On the convergence of SCF algorithms for the Hartree-Fock equations

Eric Cancès, Claude Le Bris (2010)

ESAIM: Mathematical Modelling and Numerical Analysis

The present work is a mathematical analysis of two algorithms, namely the Roothaan and the level-shifting algorithms, commonly used in practice to solve the Hartree-Fock equations. The level-shifting algorithm is proved to be well-posed and to converge provided the shift parameter is large enough. On the contrary, cases when the Roothaan algorithm is not well defined or fails in converging are exhibited. These mathematical results are confronted to numerical experiments performed by chemists.

On the Convergence of the Approximate Free Boundary for the Parabolic Obstacle Problem

Paola Pietra, Claudio Verdi (1985)

Atti della Accademia Nazionale dei Lincei. Classe di Scienze Fisiche, Matematiche e Naturali. Rendiconti Lincei. Matematica e Applicazioni

Si discretizza il problema dell'ostacolo parabolico con differenze all'indietro nel tempo ed elementi finiti lineari nello spazio e si dimostrano stime dell'errore per la frontiera libera discreta.

On the convergence of the stochastic Galerkin method for random elliptic partial differential equations

Antje Mugler, Hans-Jörg Starkloff (2013)

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

In this article we consider elliptic partial differential equations with random coefficients and/or random forcing terms. In the current treatment of such problems by stochastic Galerkin methods it is standard to assume that the random diffusion coefficient is bounded by positive deterministic constants or modeled as lognormal random field. In contrast, we make the significantly weaker assumption that the non-negative random coefficients can be bounded strictly away from zero and infinity by random...

On the cost of null-control of an artificial advection-diffusion problem

Pierre Cornilleau, Sergio Guerrero (2013)

ESAIM: Control, Optimisation and Calculus of Variations

In this paper we study the null-controllability of an artificial advection-diffusion system in dimension n. Using a spectral method, we prove that the control cost goes to zero exponentially when the viscosity vanishes and the control time is large enough. On the other hand, we prove that the control cost tends to infinity exponentially when the viscosity vanishes and the control time is small enough.

On the critical Neumann problem with lower order perturbations

Jan Chabrowski, Bernhard Ruf (2007)

Colloquium Mathematicae

We investigate the solvability of the Neumann problem (1.1) involving a critical Sobolev exponent and lower order perturbations in bounded domains. Solutions are obtained by min max methods based on a topological linking. A nonlinear perturbation of a lower order is allowed to interfere with the spectrum of the operator -Δ with the Neumann boundary conditions.

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