Ionization of liquid water by fast electron impact: Multiple differential cross sections

O. A. FOJÓN; R. VUILLEUMIER; C. R. STIA; M. L. DE SANCTIS; M. F. POLITIS

Sendai

Congreso; International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces; 2010

Universidad de Tohoku

We study the single ionisation of water molecules in liquid phase by electron impact at high impact energies. We compute multiple differential cross sections (MDCS) by means of a simple first order model. To represent the initial state of the molecule, we employ wavefunctions obtained through a Wannier orbital formalism that transforms the wavefunction of the whole liquid system into electronic orbitals localised over each water molecule in the liquid phase. By means of an approximate static potential, we obtain an estimation of the influence of the passive electrons of the molecule (those not ionized) on the ionization process. We compute MDCS for the 1B1 orbital of the water molecule as a function of the ejection angle at definite scattering angle, incident and ejected energies, and for fixed orientations of the molecule. It is observed that MDCS depend strongly on the  orientation of the molecule.