Abstract
We present a partitioning scheme for the molecular third-order polarizability γ, in terms of local atomic contributions. These contributions allow a pictorial representation of γ in real space and its easy evaluation for long conjugated molecules. A good insight is obtained into the origin of the sign and value of the static γ in unsubstituted and push-pull polyenes and cyanines.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 488-489 |
| Number of pages | 2 |
| Journal | Synthetic Metals |
| Volume | 101 |
| Issue number | 1-3 |
| DOIs | |
| State | Published - 1999 |
| Externally published | Yes |
| Event | Proceedings of the 1998 International Conference on Science and Technology of Synthetic Metals (ICSM-98) - Montpellier, France Duration: Jul 12 1998 → Jul 18 1998 |
Keywords
- Models of nonlinear phenomena
- Semiempirical models and model calculations
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys
- Materials Chemistry