Electron scattering cross section calculations for polar molecules over a broad energy range

A G Sanz; M C Fuss; F Blanco; Zdeněk Mašín; Jimena D Gorfinkiel; F Carelli; F Sebastianelli; F A Gianturco; G García

doi:10.1016/j.apradiso.2013.01.031

Electron scattering cross section calculations for polar molecules over a broad energy range

Appl Radiat Isot. 2014 Jan:83 Pt B:57-67. doi: 10.1016/j.apradiso.2013.01.031. Epub 2013 Jan 31.

Authors

A G Sanz¹, M C Fuss, F Blanco, Zdeněk Mašín, Jimena D Gorfinkiel, F Carelli, F Sebastianelli, F A Gianturco, G García

Affiliation

¹ Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 113-bis, 28006 Madrid, Spain.

PMID: 23434441
DOI: 10.1016/j.apradiso.2013.01.031

Abstract

We report computational integral and differential cross sections for electron scattering by two different polar molecules, HCN and pyrimidine, over a broad energy range. We employ, for low energies, either the single-centre expansion (ePOLYSCAT) or the R-matrix method, while for the higher energies we select a corrected form of the independent-atom representation (IAM-SCAR). We provide complete sets of integral electron scattering cross sections from low energies up to 10,000 eV. Our present calculated data agree well with prior experimental results.

Keywords: Dipole-induced excitations; Elastic cross sections; Electron scattering; HCN; Pyrimidine.