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https://hdl.handle.net/2445/9845| Title: | Valence-bond treatment of distortions in polyacene polymers |
| Author: | García Bach, Ma. de los Ángeles Peñaranda Ayllon, Angelina Klein, D. J. |
| Keywords: | Química física Polímers Elastòmers Physical chemistry Polymers Elastomers |
| Issue Date: | 1992 |
| Publisher: | The American Physical Society |
| Abstract: | 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. |
| Note: | Reproducció digital del document publicat en format paper, proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevB.45.10891 |
| It is part of: | Physical Review B, 1992, vol. 45, núm. 19, p. 10891-10901. |
| URI: | https://hdl.handle.net/2445/9845 |
| Related resource: | http://dx.doi.org/10.1103/PhysRevB.45.10891 |
| ISSN: | 0163-1829 |
| Appears in Collections: | Articles publicats en revistes (Física de la Matèria Condensada) |
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