of Water with Excess Protons and an Excess Electron"
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