Elastic and inelastic low-energy electron collisions with pyrazine

Mašin, Zdeněk and Gorfinkiel, Jimena (2011). Elastic and inelastic low-energy electron collisions with pyrazine. The Journal of Chemical Physics, 135(14) pp. 144308–144321.

DOI: https://doi.org/10.1063/1.3650236


We present results of ab-initio scattering calculations for electron collisions with pyrazine using the R-matrix method, carried out at various levels of approximation. We confirm the existing experimental and theoretical understanding of the three well-known Π* shape resonances. In addition, we find numerous core-excited resonances (above 4.8 eV) and identify their most likely parent states. We also present differential cross sections, showing high sensitivity to the scattering model chosen at low energies. We make recommendations regarding the selection of models for scattering calculations with this type of targets.

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