The static electronic longitudinal polarizability ␣ and second ## Ž . hyperpolarizability ␥ of all-trans planar polyacetylene chains have been computed at Ž . different levels of approximation by varying the bond length alternation BLA along the Ž . conjugated backbone. Although the restricted Ha
Analysis of the vibrational static and dynamic second hyperpolarizabilities of polyacetylene chains
✍ Scribed by Benoît Champagne; Éric A. Perpète
- Book ID
- 117540964
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 480 KB
- Volume
- 85
- Category
- Article
- ISSN
- 0379-6779
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📜 SIMILAR VOLUMES
Second hyperpolarizabilities ( y) of multiply substituted push-pull polyenes are estimated employing model systems described by the Pariser-Parr-Pople (PPP) Hamiltonian. For several push-pull polyenes, relative contributions from three types ofvirtual transition processes to static y values are exam
The nuclear relaxation and curvature contributions to the static vibrational polarizability of all-trans polyacetylene chains have been calculated at the Hartree-Fock 6-31G level of approximation by using a finite field relaxation procedure. In the curvature contribution are included the zero-point