Generalized gradient approximations to density functional theory: comparison with exact results

Details Generalized gradient approximations to density functional theory: comparison with exact results Generalized gradient approximations to density functional theory: comparison with exact results

1996-07-07

arxiv.org/abs/cond-mat/9607046v1

Physics

Condensed Matter

Scientific paper

In order to assess the accuracy of commonly used approximate exchange-correlation density functionals, we present a comparison of accurate exchange and correlation potentials, exchange energy densities and energy components with the corresponding approximate quantities. Four systems are used as illustrative examples: the model system of two electrons in a harmonic potential and the He, Be and Ne atoms. A new ingredient in the paper is the separation of the exchange-correlation potential into exchange and correlation according to the density functional theory definition.

Affiliated with

Also associated with

No associations

Rating

Generalized gradient approximations to density functional theory: comparison with exact results does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Generalized gradient approximations to density functional theory: comparison with exact results, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Generalized gradient approximations to density functional theory: comparison with exact results will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-76225