Dimensional crossover of the exchange-correlation energy at the semilocal level

Details Dimensional crossover of the exchange-correlation energy at the semilocal level Dimensional crossover of the exchange-correlation energy at the semilocal level

2009-06-27

arxiv.org/abs/0906.5037v1

Phys. Rev. B 78, 155106 (2008)

Physics

Condensed Matter

Materials Science

6 pages, 5 figures

Scientific paper

Commonly used semilocal density functional approximations for the exchange-correlation energy fail badly when the true two dimensional limit is approached. We show, using a quasi-two-dimensional uniform electron gas in the infinite barrier model, that the semilocal level can correctly recover the exchange-correlation energy of the two-dimensional uniform electron gas. We derive new exact constraints at the semilocal level for the dimensional crossover of the exchange-correlation energy and we propose a method to incorporate them in any exchange-correlation density functional approximation.

Affiliated with

Also associated with

No associations

Rating

Dimensional crossover of the exchange-correlation energy at the semilocal level 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 Dimensional crossover of the exchange-correlation energy at the semilocal level, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Dimensional crossover of the exchange-correlation energy at the semilocal level will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-306097