Please use this identifier to cite or link to this item: http://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: http://hdl.handle.net/2445/9845
ISSN: 0163-1829
Appears in Collections:Articles publicats en revistes (Física de la Matèria Condensada)

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