摘要
In the calculation of energy bands of crystal and polymer, the complex generalized eigenvalue problem always appears. For a given crystal or polymer, it is more complicated to set up and solve the complex generalized eigen-matrix equation. In this paper, we have made some improvements on both the setting-up and the solving of such equation. As an example of the application of this method, the π-electronic energy bands of the polyene have been calculated by the improved method.
