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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

AuthorsGarcía Sanz, A.; Fuss, Martina ; Blanco, F.; Sebastianelli, F.; Gianturco, F.A.; García, Gustavo
Issue Date2012
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 137: 124103 (2012)
AbstractWe 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.
Identifiersdoi: 10.1063/1.4754661
issn: 0021-9606
Appears in Collections:(CFMAC-IFF) Artículos
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