The off-diagonal component of the first-order hyperpolarixability tensor 8, of Czv molecules, e.g. substituted polyynes and benxenes, has been calculated by a simplified sum-over-states method. The missing-orbital analysis of the calculated results reveals that excitations from a2 and b2 orbitals co
A sum-over-state scheme of analysis of hyperpolarizabilities and its application to spiroconjugated molecular system
โ Scribed by Nabamita Panja; Tapan K. Ghanty; Prasanta K. Nandi
- Publisher
- Springer
- Year
- 2009
- Tongue
- English
- Weight
- 471 KB
- Volume
- 126
- Category
- Article
- ISSN
- 1432-2234
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