Liquid water ionization by fast electron impact: a multiple differential study for the 1B1 orbital

• Published in: Journal of physics. B, Atomic, molecular, and optical physics Atomic, molecular, and optical physics, 2012-02, Vol.45 (4)
• Main Authors: de Sanctis, M L, Politis, M-F, Vuilleumier, R, Stia, C R, Fojón, O A
• Format: Article
• Language: English
• Subjects: Atomic and molecular collision processes and interactions; Atomic and molecular physics; electron impact; Electron scattering; Exact sciences and technology; ionization; liquid water; Molecular excitation and ionization by electron impact; Physics
• ISSN: 0953-4075; 1361-6455
• DOI: 10.1088/0953-4075/45/4/045206

We study theoretically the single ionization of water molecules in a liquid phase by impact of fast electrons in a coplanar geometry. For the first time, the wavefunction for a single water molecule in the liquid phase is described in a realistic way by means of a Wannier orbital formalism. Multiple differential cross sections for the most external 1B1 orbital are obtained through a first-order model within the framework of an independent electron approximation. Moreover, the relaxation of the target is not taken into account. We compare our results with previous theoretical and experimental ones for water in a gas phase. The main physical features of the reaction observed in measurements for vapour (such as binary and recoil peaks) are also observed in our theoretical predictions.