Title:
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Valence-bond treatment of distortions in polyacene polymers
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Author:
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García Bach, Ma. de los Ángeles; Peñaranda Ayllon, Angelina; Klein, D. J.
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Other authors:
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Universitat de Barcelona |
Abstract:
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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. |
Subject(s):
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-Química física -Polímers -Elastòmers -Physical chemistry -Polymers -Elastomers |
Rights:
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(c) The American Physical Society, 1992
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Document type:
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Article Article - Published version |
Published by:
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The American Physical Society
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