Electron scattering cross sections from HCN over a broad energy range (0.1-10,000 eV): Influence of the permanent dipole moment on the scattering process.

نویسندگان

  • A G Sanz
  • M C Fuss
  • F Blanco
  • F Sebastianelli
  • F A Gianturco
  • G García
چکیده

We report theoretical integral and differential cross sections for electron scattering from hydrogen cyanide derived from two ab initio scattering potential methods. For low energies (0.1-100 eV), we have used the symmetry adapted-single centre expansion method using a multichannel scattering formulation of the problem. For intermediate and high energies (10-10,000 eV), we have applied an optical potential method based on a screening corrected independent atom representation. Since HCN is a strong polar molecule, further dipole-induced excitations have been calculated in the framework of the first Born approximation and employing a transformation to a space-fixed reference frame of the calculated K-matrix elements. Results are compared with experimental data available in the literature and a complete set of recommended integral elastic, inelastic, and total scattering cross sections is provided from 0.1 to 10,000 eV.

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عنوان ژورنال:
  • The Journal of chemical physics

دوره 137 12  شماره 

صفحات  -

تاریخ انتشار 2012