ABINITIO GREENS-FUNCTION CALCULATIONS ON THE AUGER-SPECTRA OF POLYETHYLENE

An ab initio Green's-function method for calculating the Auger spectra of polymers is presented. The method makes use of the translational symmetry of the polymer by transforming the two-particle Green's function to an excitonlike representation. Electron correlation effects are included by a renormalization procedure employing quasiparticle bands obtained from a one-particle Green's-function calculation. Comparison of the calculated with the experimental spectrum shows a rapid convergence with the size of the elementary cell and supports earlier interpretations that some shake-off satellite structure must contribute to the spectrum.