https://doi.org/10.1140/epjd/s10053-022-00371-0
Regular Article – Atomic and Molecular Collisions
R-matrix calculations for elastic electron and positron scattering from pyrazine: effect of the polarization description
School of Physical Sciences, The Open University, Walton Hall, MK7 6AA, Milton Keynes, UK
Received:
26
November
2021
Accepted:
17
February
2022
Published online:
10
March
2022
We present R-matrix calculations of electron and positron low energy scattering from the highly polarizable pyrazine molecule. We compare integral and differential elastic cross sections with experimental results and assess the quality of the models used for describing collisions of either projectile. Static-exchange-plus-polarization models give a good description of electron scattering (including that of shape resonances), whereas both the integral and small-angle differential cross sections are underestimated for positron collisions for the same models. We discuss whether the absence of a permanent dipole moment improves the comparison with experiment for this molecule, as well as future calculations that may improve the description of polarization effects and thus positron scattering.
© The Author(s) 2022
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