Asymptotic regularity of solutions of Hartree-Fock equations with coulomb potential

  • We study the asymptotic regularity of solutions of Hartree-Fock equations for Coulomb systems. In order to deal with singular Coulomb potentials, Fock operators are discussed within the calculus of pseudo-differential operators on conical manifolds. First, the non-self-consistent-field case is considered which means that the functions that enter into the nonlinear terms are not the eigenfunctions of the Fock operator itself. We introduce asymptotic regularity conditions on the functions that build up the Fock operator which guarantee ellipticity for the local part of the Fock operator on the open stretched cone R+ × S². This proves existence of a parametrix with a corresponding smoothing remainder from which it follows, via a bootstrap argument, that the eigenfunctions of the Fock operator again satisfy asymptotic regularity conditions. Using a fixed-point approach based on Cances and Le Bris analysis of the level-shifting algorithm, we show via another bootstrap argument, that the corresponding self-consistent-field solutions of the We study the asymptotic regularity of solutions of Hartree-Fock equations for Coulomb systems. In order to deal with singular Coulomb potentials, Fock operators are discussed within the calculus of pseudo-differential operators on conical manifolds. First, the non-self-consistent-field case is considered which means that the functions that enter into the nonlinear terms are not the eigenfunctions of the Fock operator itself. We introduce asymptotic regularity conditions on the functions that build up the Fock operator which guarantee ellipticity for the local part of the Fock operator on the open stretched cone R+ × S². This proves existence of a parametrix with a corresponding smoothing remainder from which it follows, via a bootstrap argument, that the eigenfunctions of the Fock operator again satisfy asymptotic regularity conditions. Using a fixed-point approach based on Cances and Le Bris analysis of the level-shifting algorithm, we show via another bootstrap argument, that the corresponding self-consistent-field solutions of the Hartree-Fock equation have the same type of asymptotic regularity.show moreshow less

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Metadaten
Author:Heinz-Jürgen Flad, Reinhold Schneider, Bert-Wolfgang Schulze
URN:urn:nbn:de:kobv:517-opus-30268
Series (Serial Number):Preprint / Universität Potsdam, Institut für Mathematik, Arbeitsgruppe Partielle Differentialgleichungen und Komplexe Analysis ((2007) 05)
Document Type:Preprint
Language:English
Date of Publication (online):2009/05/06
Year of Completion:2007
Publishing Institution:Universität Potsdam
Release Date:2009/05/06
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Mathematik
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 51 Mathematik / 510 Mathematik
MSC Classification:35-XX PARTIAL DIFFERENTIAL EQUATIONS / 35Jxx Elliptic equations and systems [See also 58J10, 58J20] / 35J70 Degenerate elliptic equations
74-XX MECHANICS OF DEFORMABLE SOLIDS / 74Kxx Thin bodies, structures / 74K20 Plates
Collections:Universität Potsdam / Schriftenreihen / Preprint / Universität Potsdam, Institut für Mathematik, Arbeitsgruppe Partielle Differentialgleichungen und Komplexe Analysis
Universität Potsdam / Schriftenreihen / Preprint / Universität Potsdam, Institut für Mathematik, Arbeitsgruppe Partielle Differentialgleichungen und Komplexe Analysis / 2007
Licence (German):License LogoKeine Nutzungslizenz vergeben - es gilt das deutsche Urheberrecht
Notes extern:
Die Printversion kann in der Universitätsbibliothek Potsdam eingesehen werden:
Preprint / Universität Potsdam, Institut für Mathematik, Arbeitsgruppe Partielle Differentialgleichungen und Komplexe Analysis, 1997-

Die Online-Fassung wird auf der Homepage des Instituts für Mathematik veröffentlicht.

RVK-KLassifikation: SI 990