New Approach to Density Functional Theory and Description of Spectra of Finite Electron Systems

Details New Approach to Density Functional Theory and Description of Spectra of Finite Electron Systems New Approach to Density Functional Theory and Description of Spectra of Finite Electron Systems

2003-12-05

arxiv.org/abs/cond-mat/0312162v1

Physics

Condensed Matter

Materials Science

RevTex, 8 pages, invited talk at ISACC 2003, July 18-21, St. Petersburg, Russia

Scientific paper

The self consistent version of the density functional theory is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems. An exact functional equation for the effective interaction, from which one can construct the action functional, density functional, the response functions, and excitation spectra of the considered systems, is outlined. In the context of the density functional theory we consider the single particle excitation spectra of electron systems and relate the single particle spectrum to the eigenvalues of the corresponding Kohn-Sham equations. We find that the single particle spectrum coincides neither with the eigenvalues of the Kohn-Sham equations nor with those of the Hartree-Fock equations.

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