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 journalArticle

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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