Investigation of soliton dynamics in excited polyacetylene

Abstract

The predictions concerning the existence and properties of solitons in excited alternating trans-polyacetylene are numerically studied. In contrast to earlier work the computations include electron-electron interaction on a Pariser-Parr-Pople level. To approximate the gradient of the potential energy with respect to the geometrical variables first-order perturbation theory is used. As found in earlier studies which used the Hückel-type Su-Schrieffer-Heeger Hamiltonian soliton formation is found in excited polyacetylene. It could be shown that electron-electron interactions have qualitatively a smaller influence on soliton dynamics than one would expect.