Functional relations for the density functional exchange and correlation functionals connecting functionals at three densities

Details Functional relations for the density functional exchange and correlation functionals connecting functionals at three densities Functional relations for the density functional exchange and correlation functionals connecting functionals at three densities

2011-09-20

arxiv.org/abs/1109.4214v1

Physics

Condensed Matter

Materials Science

5 pages

Scientific paper

It is shown that the DFT exchange and correlation functionals satisfy an
expression that couples exchange and correlation functionals and functional
derivatives evaluated at three different densities and for two particle
numbers. This equation can be used as a stringent test to check the internal
self-consistency of approximations to the exchange and correlation functionals.

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