Electron correlation effects in periodic and aperiodic polymers

Abstract

Green's function methods have found many new applications in the theory of electronic spectra of polymers. In the case of periodic polymers, corrections to the results of <i>ab initio</i> crystal-orbital calculations are obtained. In the case of aperiodic polymers, <i>ab initio</i> matrix-block negative-factor counting techniques have been modified to include the relevant electron correlation effects. The spectroscopies which have been analyzed under these perspectives include photoelectron, exciton, Auger spectra and many others. Their treatment is possible by construction of appropriate Green's functions. The systems for which corresponding studies have been reported range from polyacetylene to polyethylene and polypropylene.