✦ LIBER ✦
Dynamics of breathers and kink-antikink collisions in trans-polyacetylene studied by an all-valence electron tight-binding Hamiltonian
✍ Scribed by Marcus Elstner; Giulia Galli; Sándor Suhai
- Book ID
- 104297383
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 381 KB
- Volume
- 113
- Category
- Article
- ISSN
- 0167-2789
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✦ Synopsis
We present a study of the dynamics of rruns-polyacetylene chains using an O(N)-scaling all-valence electron tight-binding Hamiltonian. The O(N)-scheme based on a set of non-orthogonal localized orbitals turns out to be capable of efficiently describing fine details in the dynamics of such large molecular systems. In this work we focus on nonlinear vibrational excitations as well as on their interactions.