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Communications in Mathematical Physics

, Volume 203, Issue 3, pp 499–530 | Cite as

Solutions of the Dirac–Fock Equations for Atoms¶and Molecules

  • Maria J. Esteban
  • Eric Séré

Abstract:

The Dirac–Fock equations are the relativistic analogue of the well-known Hartree–Fock equations. They are used in computational chemistry, and yield results on the inner-shell electrons of heavy atoms that are in very good agreement with experimental data. By a variational method, we prove the existence of infinitely many solutions of the Dirac–Fock equations “without projector”, for Coulomb systems of electrons in atoms, ions or molecules, with Z≤ 124, N≤ 41, N≤ Z. Here, Z is the sum of the nuclear charges in the molecule, N is the number of electrons.

Keywords

Experimental Data Variational Method Heavy Atom Yield Result Nuclear Charge 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin Heidelberg 1999

Authors and Affiliations

  • Maria J. Esteban
    • 1
  • Eric Séré
    • 2
  1. 1.Ceremade (URA CNRS 749), CNRS et Université Paris-Dauphine, Place du Maréchal de Lattre de Tassigny, F-75775 Paris Cedex 16, FranceFR
  2. 2.Département de Mathématiques, Université de Cergy-Pontoise, 2 Av. Adolphe Chauvin,¶F-95302 Cergy-Pontoise Cedex, FranceFR

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