Orientation effects in the single ionization of water molecules in liquid phase

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

Salamanca, España

Congreso; X European Conference on Atoms, Molecules and Photons; 2010

Universidades de Salamanca, Autónoma de Madrid, Complutense de Madrid, de Barcelona y Universidad Nueva de Lisboa

We study the influence of the molecular orientation in the single ionization of water molecules in liquid phase. By employing a simple first order model we compute multiple Differential Cross Sections (DCS) for the ionization process. The initial state of the molecule is described by means of wavefunctions obtained through a Wannier orbital formalism allowing the transformation of the wavefunction of the whole liquid system into electronic orbitals localized over each water molecule in the liquid phase.  We compute DCS as a function of the ejection angle at definite incident and ejected energies, and for definite orientations of the molecule with respect to the collision plane