Ab initioGreen’s-function calculations on the Auger spectra of polyethylene
- 1 April 1991
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 43 (10) , 7561-7564
- https://doi.org/10.1103/physrevb.43.7561
Abstract
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.Keywords
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