pith. sign in

arxiv: cond-mat/0503071 · v2 · submitted 2005-03-03 · ❄️ cond-mat.mtrl-sci · physics.chem-ph

System-adapted correlation energy density functionals from effective pair interactions

classification ❄️ cond-mat.mtrl-sci physics.chem-ph
keywords densityenergyfunctionalcombinedcorrelationeffectivefunctionalsideas
0
0 comments X
read the original abstract

We present and discuss some ideas concerning an ``average-pair-density functional theory'', in which the ground-state energy of a many-electron system is rewritten as a functional of the spherically and system-averaged pair density. These ideas are further clarified with simple physical examples. We then show that the proposed formalism can be combined with density functional theory to build system-adapted correlation energy functionals. A simple approximation for the unknown effective electron-electron interaction that enters in this combined approach is described, and results for the He series and for the uniform electron gas are briefly reviewed.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.