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

作者: A. G. Sanz , M. C. Fuss , F. Blanco , F. Sebastianelli , F. A. Gianturco

DOI: 10.1063/1.4754661

关键词:

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

参考文章(43)
Franco A Gianturco, Winifred M Huo, Computational methods for electron-molecule collisions Plenum Press. ,(1995) , 10.1007/978-1-4757-9797-8
F. A. Gianturco, R. R. Lucchese, Electron scattering from gaseous SF6: Comparing calculations with experiments Journal of Chemical Physics. ,vol. 114, pp. 3429- 3439 ,(2001) , 10.1063/1.1343900
B. D. Michael, Molecular biology. A sting in the tail of electron tracks. Science. ,vol. 287, pp. 1603- 1604 ,(2000) , 10.1126/SCIENCE.287.5458.1603
F A Gianturco, A Jain, L C Pantano, Electron-methane scattering via a parameter-free model interaction Journal of Physics B. ,vol. 20, pp. 571- 586 ,(1987) , 10.1088/0022-3700/20/3/019
Y Okamoto, K Onda, Y Itikawa, Vibrationally elastic cross sections for electron scattering from water molecules Journal of Physics B. ,vol. 26, pp. 745- 758 ,(1993) , 10.1088/0953-4075/26/4/013
Hemal N. Varambhia, Alexandre Faure, Jonathan Tennyson, Thierry Stoecklin, Electron-impact rotational and hyperfine excitation of HCN, HNC, DCN and DNC Monthly Notices of the Royal Astronomical Society. ,vol. 382, pp. 840- 848 ,(2007) , 10.1111/J.1365-2966.2007.12416.X
P. D. Burrow, A. E. Howard, A. R. Johnston, K. D. Jordan, Temporary anion states of hydrogen cyanide, methyl cyanide, and methylene dicyanide, selected cyanoethylenes, benzonitrile, and tetracyanoquinodimethane The Journal of Physical Chemistry. ,vol. 96, pp. 7570- 7578 ,(1992) , 10.1021/J100198A017