Ab initio calculation of differential cross sections for the double ionization of water vapour by electron impact

作者：Kada I^*; Mansouri A; Dal Cappello C; Hervieux P A; Roy A C

来源：Journal of Physics B: Atomic, Molecular and Optical Physics , 2009, 42(2): 025201.

DOI：10.1088/0953-4075/42/2/025201

We carry out a theoretical analysis of the double ionization of the water molecule by fast electrons. The analysis is based on a perturbative approach. For the final state we employ the well-known 3C wavefunction which has the correct asymptotic behaviour when all interparticle distances are large. The initial state of the target is described by an accurate molecular wavefunction proposed by Moccia (1964 J. Chem. Phys. A 40 2186). We present five-fold differential cross sections for a wide variety of kinematical conditions. We show that a simple summation over four indices is able to avoid a time-consuming triple numerical integration required to take account of the orientation of the molecule in space. The mechanisms of the double ionization of the water molecule are identified and discussed.

• 出版日期2009-1-28