Generalized gradient approximation for solids and their surfaces

Details Generalized gradient approximation for solids and their surfaces Generalized gradient approximation for solids and their surfaces

2007-07-13

arxiv.org/abs/0707.2088v2

Phys. Rev. Lett. 100, 136406 (2008)

Physics

Condensed Matter

Other Condensed Matter

4pages, 2figures,2tables

Scientific paper

10.1103/PhysRevLett.100.136406

Successful modern generalized gradient approximations (GGA) are biased toward
atomic energies. Restoration of the first-principles gradient expansion for the
exchange energy over a wide range of density gradients eliminates this bias. We
introduce PBEsol, a revised Perdew-Burke-Ernzerhof GGA that improves
equilibrium properties for many densely-packed solids and their surfaces.

Affiliated with

Also associated with

No associations

Rating

Generalized gradient approximation for solids and their surfaces 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 approximation for solids and their surfaces, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Generalized gradient approximation for solids and their surfaces will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-253632