Journal of Chemical Physics, Vol.103, No.6, 2126-2131, 1995
Interchain Interactions in One-Dimensional Periodic-Systems - An Analysis of 2nd-Order Effects Causing Deformation
The role of second-order perturbations in interchain interactions of one-dimensional electronic systems is examined. The general features of such interchain interactions are deduced from a simple two-chain model. From a perturbation-theoretic analysis, the second-order term originating from two different bands near the Fermi level leads to an important out-of-phase coupling of charge-density-waves on neighboring chains. The preferred distortion is predicted for various electron counts, using a transition-density analysis. Specific geometrical conclusions are derived for polyacene systems.