A semi-empirical approach to the electronic structure of copper surfaces
โ Scribed by B.I. Craig; P.V. Smith
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 762 KB
- Volume
- 49
- Category
- Article
- ISSN
- 0022-3697
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The energy band structure of black phosphorus is calculated with the Hat-tree-Fock self-consistent-field crystal-orbital method using the CND0/2 approximation. The band gap is found at the point in the first Brillouin zone that corresponds to the direction perpendicular to the phosphorus layer. The
The Wall-Porter method of rotating a hlorse function to construct poiential energy surfaces for colLnez~ atom-diatom chemical reactions is modified by using a numerical spline interpolation technique. This procedure is shown to have BP-at fk.uibility in giving a potential surface desired characteris