| Literature DB >> 23020320 |
A G Sanz1, M C Fuss, F Blanco, F Sebastianelli, F A Gianturco, G García.
Abstract
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.Entities:
Mesh:
Substances:
Year: 2012 PMID: 23020320 DOI: 10.1063/1.4754661
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488