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Bond alternation of polyacetylene as a spin-Peierls distortion

✍ Scribed by Sylvain Capponi; Nathalie Guihéry; Jean-Paul Malrieu; Béatrice Miguel; Didier Poilblanc

Book ID
103035587
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
356 KB
Volume
255
Category
Article
ISSN
0009-2614

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✦ Synopsis

Using a distance-dependent Heisenberg Hamiltonian extracted from calculations on ethylene, the bond alternation (which solid state physicists call dimerization) of polyacetylene is studied through either exact diagonalization for finite cyclic and linear polyenes, or modified coupled cluster treatments of an infinite periodic system. The asymptotic half bond-length difference appears to be 0.032 + 0.001 ,~ in good agreement with experimental estimates (0.03-0.04 .~).

📜 SIMILAR VOLUMES

Bond length alternation effects on the s
Bond length alternation effects on the static electronic polarizability and second hyperpolarizability of polyacetylene chains
✍ Benoît Champagne; Eric A. Perpète 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 309 KB 👁 2 views

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