A novel method for computing bond—bond interactions of large systems
✍ Scribed by Charles H. Patterson
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 427 KB
- Volume
- 213
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
A method for rapidly computing electric dipolar susceptibilities of large systems such as semiconductor surfaces is given. Bond polarisabilities and bond-bond interactions are calculated by an ab initio technique. Bond interactions are also calculated by a point-dipole model where bond dipoles are assumed to be point dipoles located at the bond midpoints, interacting by pointdipole electric fields. The feasibility of applying the method to large systems depends on the fact that point-dipole-bond interactions agree with ab initio computed interactions for bonds further than two bond distances apart so that only a few bond interactions need be calculated from first principles.
📜 SIMILAR VOLUMES
## Through use of normal modes, bond graphs can be used to construct perhaps the most accurate low order models for linear distributed systems. By requiring relatively few equations, when compared to finite dtflerence and finite element models, a physically understandable model results for design an