Valence-bond treatment of distortions in polyacene polymers
Distortions of polyacene polymers are studied within a many-body valence-bond framework using a powerful transfer-matrix technique for the valence-bond (or Heisenberg) model of the system. The computations suggest that the ground-state geometry is either totally symmetric or possibly exhibits a slig...
| Autores: | , , |
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| Tipo de documento: | artigo |
| Estado: | Versão publicada |
| Data de publicação: | 1992 |
| País: | España |
| Recursos: | Universidad de Barcelona |
| Repositório: | Dipòsit Digital de la UB |
| OAI Identifier: | oai:diposit.ub.edu:2445/9845 |
| Acesso em linha: | https://hdl.handle.net/2445/9845 |
| Access Level: | Acceso aberto |
| Palavra-chave: | Química física Polímers Elastòmers Physical chemistry Polymers Elastomers |
| Resumo: | Distortions of polyacene polymers are studied within a many-body valence-bond framework using a powerful transfer-matrix technique for the valence-bond (or Heisenberg) model of the system. The computations suggest that the ground-state geometry is either totally symmetric or possibly exhibits a slight (A2 or B2 symmetry) bond-alternation distortion. The lowest-energy (nonsymmetric, in-plane) distortions are the A2 and B2 modes, which, within our approximations, are degenerate. |
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