Surface energy of a bounded electron gas: Analysis of the accuracy of the local-density approximation via ab initio self-consistent-field calculations

Details Surface energy of a bounded electron gas: Analysis of the accuracy of the local-density approximation via ab initio self-consistent-field calculations Surface energy of a bounded electron gas: Analysis of the accuracy of the local-density approximation via ab initio self-consistent-field calculations

1997-12-15

arxiv.org/abs/cond-mat/9712155v1

Phys. Rev. B 57, 6329 (1998)

Physics

Condensed Matter

Materials Science

4 pages, 1 figure, to appear in Phys. Rev. B

Scientific paper

10.1103/PhysRevB.57.6329

We report an ab initio evaluation of the surface energy of a simple metal, performed via a coupling-constant integration over the dynamical density-response function. The rapid rate of change of the electron density at the surface is treated exactly. Long-range correlations are treated self-consistently in the random-phase approximation; short range correlations are included in time-dependent local density-functional theory. Our results provide a numerical measure of the error introduced by the usual local-density approximation; this error is found to be small.

Affiliated with

Also associated with

No associations

Rating

Surface energy of a bounded electron gas: Analysis of the accuracy of the local-density approximation via ab initio self-consistent-field calculations 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 Surface energy of a bounded electron gas: Analysis of the accuracy of the local-density approximation via ab initio self-consistent-field calculations, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Surface energy of a bounded electron gas: Analysis of the accuracy of the local-density approximation via ab initio self-consistent-field calculations will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-78345