Density Functional Theory of Atoms and Molecules

  • Philippe Blanchard
  • Erwin Brüning
Part of the Progress in Mathematical Physics book series (PMP, volume 26)


The Schrödinger equation is a (linear) partial differential equation that can be solved exactly only in very few special cases such as the Coulomb potential or the harmonic oscillator potential. For more general potentials or for problems with more than two particles the quantum mechanical problem is no easier to solve than the corresponding classical one. In these situations variational methods are one of the most powerful tools for deriving approximate eigenvalues E and eigenfunctions ψ. These approximations are done in terms of a theory of density functionals as proposed by Thomas, Fermi, Hohenberg and Kohn. This chapter explains briefly the basic facts of this theory.


Density Functional Theory Ground State Energy Helium Atom Reflexive Banach Space Thomas Fermi 
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Copyright information

© Springer Science+Business Media New York 2003

Authors and Affiliations

  • Philippe Blanchard
    • 1
  • Erwin Brüning
    • 2
  1. 1.Faculty of PhysicsUniversity of BielefeldBielefeldGermany
  2. 2.Department of Mathematics and Applied MathematicsUniversity of Durban—WestvilleDurbanSouth Africa

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