-
Roothaan's LCAO-SCF method is extented to the problem of an infinite long-chain, conjugated molecule. A system of non-linear integral equation is obtained. The nature of the equation as well as the question of the existence of anomalous solutions are discussed. Finally, we suggest a methed of linearization and approximations.
[1] -
[1]
Catalog
Metrics
- Abstract views:7238
- PDF Downloads:403
- Cited By:0