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Computational Approaches
of Relativistic Models
in Quantum Chemistry
J.R Desclaux a, J. Dolbeault b, M.J. Esteban b,
R Indelicato c, E. $6r6 b
a15 Chemin du Billery, F-38360, Sassenage, France
bCEREMADE, Unitd Mixte de Recherche du CNRS no. 7534 et Universitd Paris
IX-Dauphine, F-75775 Paris cedex 16, France
CLaboratoire Kastler-Brossel, Unity Mixte de Recherche du CNRS no. C8552, Ecole
NormaIe SupYrieure et University Pierre et Marie Curie, Case 74, 4 place Jussieu,
F-75252 Paris cedex 05, France
E-mail addresses:jean-pauLdesclaux@wanadoo,fr (J.P Desclaux),
dolbeaul@ceremade.dauphine.fr (J. Dolbeault),
esteban @ceremade.dauphine.fr ( M.J. Esteban),
paul.indelicato @spectro.jussieu.fr (P..Indelicato),
sere @ceremade,dauphine.Jf (E. S~rd )
1. Introduction
1.1. QED and relativistic models in Quantum Chemistry
It is now well known, following many experimental and theoretical results, that the
use of ab initio relativistic calculations are mandatory if one is to obtain an accurate
description of heavy atoms and ions. This is true whether one is considering highly
charged ions, inner shells of neutral or quasi neutral atoms or outer shells of very heavy
atoms.
Computational Chemistry
Special Volume (C. Le Bris, Guest Editor) of
HANDBOOK OF NUMERICAL ANALYSIS, VOL. X
RG. Ciarlet (Editor)
O 2003 Elsevier Science B.V. All rights reserved
453
4 5 4 J.P. Desclaux et al.
From a physics point of view, the natural formalism to treat such a system is Quantum
Electrodynamics (QED), the prototype of field theories. For recent reviews of different
aspects of QED in few electron
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