Valence-bond treatment of distortions in polyacene polymers
| Contribuinte(s) |
Universitat de Barcelona |
|---|---|
| Data(s) |
04/05/2010
|
| 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. |
| Identificador | |
| Idioma(s) |
eng |
| Publicador |
The American Physical Society |
| Direitos |
(c) The American Physical Society, 1992 info:eu-repo/semantics/openAccess |
| Palavras-Chave | #Química física #Polímers #Elastòmers #Physical chemistry #Polymers #Elastomers |
| Tipo |
info:eu-repo/semantics/article |
