An adaptive numerical method for the Vlasov equation based on a multiresolution analysis.

International audienceIn this paper, we present very first results for the adaptive solution on a grid of the phase space of the Vlasov equation arising in particles accelarator and plasma physics. The numerical algorithm is based on a semi-Lagrangian method while adaptivity is obtained using multiresolution analysis

A FETI method with a mesh independent condition number for the iteration matrix

We introduce a framework for FETI methods using ideas from the decomposition via Lagrange multipliers of H1 0 (Ω) derived by Raviart-Thomas [22] P.-A. Raviart, J.-M. Thomas, Primal Hybrid Finite Element Metho and complemented with the detailed work on polygonal domains developed by Grisvard [17] P. Grisvard, Singularities in Boundary value problems. Recherches en Mathématiques Appliquées, 22. Masson, 1992.. We compute the action of the Lagrange multipliers using the natural H 1/2 00 scalar product, therefore no consistency error appears. As a byproduct, we obtain that the condition number for the iteration matrix is independent of the mesh size and there is no need for preconditioning. This result improves the standard asymptotic bound for this condition number shown by Mandel-Tezaur in [19] J. Mandel, R. Tezaur, Convergence of a substructuring method with Lagrange multipliers. Numer. Math., 73 (1996), 473–487. Numerical results that confirm our theoretical analysis are presented.Nous proposons une nouvelle approche des méthodes FETI: la décomposition de domaine fait appel aux multiplicateurs de Lagrange tels qu’introduits par Raviart-Thomas [22] P.-A. Raviart, J.-M. Thomas, Primal Hybrid Finite Element Methods for second order eliptic equations. Math. Comp., 31 (1977), 391-413 et au traitement des domaines polygonaux dù á Grisvard [17] P. Grisvard, Singularities in Boundary value problems. Recherches en Mathématiques Appliquées, 22. Masson, 1992. Ces multiplicateurs utilisent le produit scalaire de H 1/2 00, de sorte qu’aucune erreur de consistance n’apparaît. En outre, nous prouvons que le nombre de condition de la matrice liée à chaque itération est indépendant de la taille du maillage, ce qui améliore le résultat de Mandel-Tezaur [19] J. Mandel, R. Tezaur, Convergence of a substructuring method with Lagrange multipliers. Numer. Math., 73 (1996), 473–487; par suite, aucun préconditionnement n’est nécessaire. Nous présentons des expériences numériques qui confirment notre analyse.Ministerio de Educación y Cienci

Multiresolution analysis of electronic structure: semicardinal and wavelet bases

This article reviews recent developments in multiresolution analysis which make it a powerful tool for the systematic treatment of the multiple length-scales inherent in the electronic structure of matter. Although the article focuses on electronic structure, the advances described are useful for non-linear problems in the physical sciences in general. The new language and notations introduced are well- suited for both formal manipulations and the development of computer software using higher-level languages such as C++. The discussion is self-contained, and all needed algorithms are specified explicitly in terms of simple operators and illustrated with straightforward diagrams which show the flow of data. Among the reviewed developments is the construction of_exact_ multiresolution representations from extremely limited samples of physical fields in real space. This new and profound result is the critical advance in finally allowing systematic, all electron calculations to compete in efficiency with state-of-the-art electronic structure calculations which depend for their celerity upon freezing the core electronic degrees of freedom. This review presents the theory of wavelets from a physical perspective, provides a unified and self-contained treatment of non-linear couplings and physical operators and introduces a modern framework for effective single-particle theories of quantum mechanics.Comment: A "how-to from-scratch" book presently in press at Reviews of Modern Physics: 88 pages, 31 figures, 5 tables, 88 references. Significantly IMPROVED version, including (a) new diagrams illustrating algorithms; (b) careful proof-reading of equations and text; (c) expanded bibliography; (d) cosmetic changes including lists of figures and tables and a more reasonable font. Latest changes (Dec. 11, 1998): a more descriptive abstract, and minor lexicographical change

Molecular Interactions and Properties of Biologically Active Compounds: Infrared and Raman Spectroscopic Studies

The correlation between molecular interactions and properties of biomolecules is a pre-eminent problem in the biological field. H-bond interactions in different classes of biomolecules, such as phospholipids, polypeptides, polynucleotides, polyamines and neurotransmitter-receptors, are here discussed by vibrational infrared and Raman spectroscopy. Effects of the strength, non-stoichiometry, and of the water molecules on this type of bond have been considered and correlated with structural and biological modifications