Publication Details

Sanz, A. G., Fuss, M. C., Blanco, F., Sebastianelli, F., Gianturco, F. A. & García, G. (2012). 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. Journal of Chemical Physics, 137 (12), 124103-1-124103-9.


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. © 2012 American Institute of Physics.



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