Correlation-Polarization Effects in Electron/Positron Scattering from Acetylene: A Comparison of Computational Models

J. Franz, F. A. Gianturco, K. L. Baluja, J. Tennyson, R. Carey, R. Montuoro, R. R. Lucchese, T. Stoecklin, P. Nichols, Thomas Gibson

Research output: Contribution to journalArticlepeer-review

Abstract

Abstract Different computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C2H2 molecules. The computations are carried out at the static and static-plus-polarization levels for describing the interaction forces and the correlation–polarization contributions are found to be an essential component for the correct description of low-energy cross section behavior. The local model potentials derived from density functional theory (DFT) and from the distributed positron model (DPM) are found to produce very high-quality agreement with existing measurements. On the other hand, the less satisfactory agreement between the R-matrix (RM) results and measured data shows the effects of the slow convergence rate of configuration-interaction (CI) expansion methods with respect to the size of the CI-expansion. To contrast the positron scattering findings, results for el
Original languageEnglish
Pages (from-to)425-434
JournalNuclear Instruments and Methods in Physics Research: Section B
DOIs
StatePublished - 2008

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