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Valence-bond treatment of distortions in polyacene polymers

Author
Peñaranda, A.; García, M.; Klein, D. J.
Type of activity
Journal article
Journal
Physical review B
Date of publication
1992-05
Volume
45
Number
19
First page
10891
Last page
10901
DOI
https://doi.org/10.1103/PhysRevB.45.10891 Open in new window
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.
Group of research
ANCORA - Anàlisi i control del ritme cardíac

Participants