Laplacian-level density functionals for the exchange-correlation energy of low-dimensional nanostructures

Details Laplacian-level density functionals for the exchange-correlation energy of low-dimensional nanostructures Laplacian-level density functionals for the exchange-correlation energy of low-dimensional nanostructures

2010-09-22

arxiv.org/abs/1009.4292v1

Phys. Rev. B 82, 165123 (2010)

Physics

Condensed Matter

Strongly Correlated Electrons

Scientific paper

10.1103/PhysRevB.82.165123

In modeling low-dimensional electronic nanostructures, the evaluation of the electron-electron interaction is a challenging task. Here we present an accurate and practical density-functional approach to the two-dimensional many-electron problem. In particular, we show that spin-density functionals in the class of meta-generalized-gradient approximations can be greatly simplified by reducing the explicit dependence on the Kohn-Sham orbitals to the dependence on the electron spin density and its spatial derivatives. Tests on various quantum-dot systems show that the overall accuracy is well preserved, if not even improved, by the modifications.

Affiliated with

Also associated with

No associations

Rating

Laplacian-level density functionals for the exchange-correlation energy of low-dimensional nanostructures 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 Laplacian-level density functionals for the exchange-correlation energy of low-dimensional nanostructures, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Laplacian-level density functionals for the exchange-correlation energy of low-dimensional nanostructures will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-637655