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. Nicholas, T. L. Gibson

Research output: Contribution to journalArticlepeer-review

20 Scopus citations


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 electron-C2H2 integral and differential cross sections, calculated with both a DFT model potential and the R-matrix method, are compared and analysed around the shape resonance energy region and found to produce better internal agreement.

Original languageEnglish
Pages (from-to)425-434
Number of pages10
JournalNuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
Issue number3
StatePublished - Feb 2008


  • 31.25.v
  • 34.80.Bm
  • 34.85.+x
  • Computed angular distributions for e/e scattering
  • Electron-molecule scattering
  • Molecular gases
  • Positron-molecule scattering
  • Quantum calculations


Dive into the research topics of 'Correlation-polarization effects in electron/positron scattering from acetylene: A comparison of computational models'. Together they form a unique fingerprint.

Cite this