Self-consistent weighted-density approximation for the electron gas. II. The metal surface
Abstract
The main properties of a metal surface in the jellium model are analyzed in the weighted-density approximation (WDA). It is found that the choice of the electron-electron pair function used in the theory is crucial to the evaluated properties. The image-potential form of the exchange and correlation potential may be recovered only with a very artificial correlation hole, which leads to unphysical results for both the location of the image plane and the surface energy. The self-consistent version of the WDA developed in the previous paper which does not need any external input is also used to evaluate the surface energy, with results close to the local-density approximation.
- Publication:
-
Physical Review B
- Pub Date:
- March 1988
- DOI:
- 10.1103/PhysRevB.37.4020
- Bibcode:
- 1988PhRvB..37.4020C
- Keywords:
-
- 71.10.+x;
- 73.20.-r;
- 68.35.Md;
- Electron states at surfaces and interfaces;
- Surface thermodynamics surface energies