Quasiparticle properties in a density functional framework
Chemical Physics
2009-11-13 v1 Strongly Correlated Electrons
Abstract
We propose a framework to construct the ground-state energy and density matrix of an N-electron system by solving selfconsistently a set of single-particle equations. The method can be viewed as a non-trivial extension of the Kohn-Sham scheme (which is embedded as a special case). It is based on separating the Green's function into a quasi-particle part and a background part, and expressing only the background part as a functional of the density matrix. The calculated single-particle energies and wave functions have a clear physical interpretation as quasiparticle energies and orbitals.
Cite
@article{arxiv.physics/0609037,
title = {Quasiparticle properties in a density functional framework},
author = {D. Van Neck and S. Verdonck and G. Bonny and P. W. Ayers and M. Waroquier},
journal= {arXiv preprint arXiv:physics/0609037},
year = {2009}
}
Comments
12 pages, 1 figure, to be published in Phys. Rev. A