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Article

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Published version

Publication date

1992

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Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/9845

Valence-bond treatment of distortions in polyacene polymers

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Related resource

http://dx.doi.org/10.1103/PhysRevB.45.10891

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.

Subject

Química física, Polímers, Elastòmers

Subject (English)

Physical chemistry, Polymers, Elastomers

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Articles publicats en revistes (Física de la Matèria Condensada)

Citation

GARCÍA BACH, Ma. de los Ángeles, PEÑARANDA AYLLON, Angelina and KLEIN, D. J. Valence-bond treatment of distortions in polyacene polymers. Physical Review B. 1992. Vol. 45, num. 19, pags. 10891-10901. ISSN 0163-1829. [consulted: 9 of August of 2026]. Available at: https://hdl.handle.net/2445/9845

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