4.8 Article

Strong Correlation in Kohn-Sham Density Functional Theory

Journal

PHYSICAL REVIEW LETTERS
Volume 109, Issue 24, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.109.246402

Keywords

-

Funding

  1. Netherlands Organization for Scientific Research (NWO)

Ask authors/readers for more resources

We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approximate the exchange-correlation energy of the restricted Kohn-Sham scheme. Our approximation corresponds to a highly nonlocal density functional whose functional derivative can be easily constructed, thus transforming exactly, in a physically transparent way, an important part of the electron-electron interaction into an effective local one-body potential. We test our approach on quasi-one-dimensional systems, showing that it captures essential features of strong correlation that restricted Kohn-Sham calculations using the currently available approximations cannot describe.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.8
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available