Comparison of calculated cross sections for secondary electron emission from a water molecule and clusters of water molecules by protons

Long, Keith A.; Paretzke, Herwig G.
July 1991
Journal of Chemical Physics;7/15/1991, Vol. 95 Issue 2, p1049
Academic Journal
Double-differential cross sections for the emission of secondary electrons, as a function of emission angle and energy, from a water molecule, a cluster of water molecules, and liquid water due to proton impact have been calculated using the dielectric response function of the target material and a method which uses an integral formulation of the density-functional theory. From these double-differential cross sections, single-differential and total cross sections, and the energy loss per unit path length, have been calculated by successive integration. The results have been compared to available experimental results and, in the case of single-differential cross sections, also to empirical models. A comparison has been made between the results for the molecule and the central molecule of the cluster in order to obtain insight into how the cross sections might change in the condensed phase, namely in liquid water.


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