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"Interactions of Water with Excess Protons and an Excess Electron"

Feng Wang
Chemistry Department
Boston University
December 2, 2005
 
In the first half of the talk, a self-consistent model will be presented that can describe proton translocation in aqueous solution with a computational cost scaling linearly with respect to the number of protons.
 
In the second half of the talk, the Drude model for describing interactions between an excess electron and water clusters will be described. The Drude model is shown to give a highly accurate description of the electron binding energy while using orders of magnitude less CPU time as compared to first principle methods.
 

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