Journal article
Quasiparticle properties in a density-functional framework
Abstract
We propose a framework to construct the ground-state energy and density matrix of an N-electron system by solving a self-consistent set of single-particle equations. The method can be viewed as a nontrivial extension of the Kohn-Sham scheme (which is embedded as a special case). It is based on separating the Green’s function into a quasiparticle part and a background part, and expressing only the background part as a functional of the density …
Authors
Van Neck D; Verdonck S; Bonny G; Ayers PW; Waroquier M
Journal
Physical Review A, Vol. 74, No. 4,
Publisher
American Physical Society (APS)
Publication Date
October 1, 2006
DOI
10.1103/physreva.74.042501
ISSN
2469-9926