Fully and double differential cross sections for the single ionization of H₂O by bare ion impact

Abstract

Abstract. A theoretical study of fully differential cross sections for the single ionization of H 2 O by collisions with H + ,p − and He 2+ at an impact energy of 2 and 6 MeV/amu is presented. We work in terms of the Born-3DW model, which considers in the final state a model central potential to represent the interaction of the emitted electron with the molecular core. Results are presented for the lesser bound molecular orbitals (1B 1 , 1B 2 , 2A 1 and 3A 1 ). Doubly differential cross sections in terms of the electron emission angle are also presented for these molecular orbitals, showing a nearly isotropic distribution for the electron energies under consideration.

Single-Capture Cross Sections from Biological Molecules and Noble Gases by Bare Ion Impact

“…1b. Our computed results are compared with the measurements of Rudd et al [17], Barnett et al [18], Toburen et al [59], and the theoretical results of Quinto et al [38] obtained by CDW-EIS approximation which was first introduced by Crothers and McCann [29] to study the single ionization of H by bare ion impact. The present TCS (solid curve) and the CDW-EIS [38] (red dotted curve) results are in good agreement with the experimental results of Barnett et al [18] (solid circles) and Toburen et al [59] (solid triangle) above 100 keV/amu.…”

“…The CDW-EIS model proved to be very successful for describing atomic collisions at intermediate and high-impact energies [26,27], whereas this results in overestimation of cross sections at low-impact energies [28]. Moreover, Fernandez-Menchero and Otranto [29] investigated the fully differential cross sections for the single ionization of water molecules by the impact of bare ions using the framework of the Born-distorted (Born-3DW) model. In the final state, they considered a model central potential to represent the ionization of the emitted electron with the residual molecular ion.…”

Multicenter continuum-distorted-wave eikonal-initial-state description of the electron-impact ionization of aligned H2 molecules

“…(11) This approximation was employed in previous works on ion-CH 4 and ion-H 2 O obtaining good overall agreement with the experimental data [46,47].…”

A complex Gaussian approach to molecular photoionization

“…In subsequent calculations, the photoelectron is assumed to feel a distorted radial potential U mol r ð Þ, obtained as the angular average of the anisotropic potential calculated from the direct term in the static exchange approximation. 13,[44][45][46] At short distances, this potential behaves as ÀZ center =r, where Z center is the approximate charge number at the central nucleus, and features a z ¼ 1 Coulomb asymptotic behavior at large distances (again, in the case of photodetachment of anions, the asymptotic charge would be z ¼ 0). This model potential, which takes somehow into account the charge distribution of the core, can clearly be improved as to include exchange and manyelectron effects.…”