Jose Balduz
Department of Physics
Mercer University

Wednesday, April 7, 2004
Willet Science Center 101

"Density Functional Theory"

Abstract:  A brief introduction to DFT will be given. This is a method to analyze many-electron systems based on the electron density rather than the full many-body wavefunction. It has both a solid theoretical basis and practical methods of application. We will start with a basic description of the problem, including the wavefunction and density matrices, and the standard Coulomb Hamiltonian. We will then describe the Hartree-Fock approach to this problem and the Thomas-Fermi model. Then DFT proper will be introduced: the Hohenberg-Kohn Theorems (I & II), issues of representability of the density and the constrained-search formulation of Levy. Finally the Kohn-Sham method using electron orbitals will be presented.

Please join us for light refreshments outside WSC 109 at 4:15.

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