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Alfredo A. Correa deleted Figure_ref_fig_charge_on_copper_bader_voronoi_shows__.tex
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Commit id: 1d53e121068c6d996436720458e0494648ef9f19
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Figure \ref{fig:charge_on_copper_bader_voronoi} shows the values of the charge on a particular neighboring $Cu$ atom relative to its initial state due to the incoming proton with $v = 1.8 ~\mathrm{a.u.}$. Using the Bader program \cite{Bader_Site,Eugen_Schwarz_1991,Tang_2009,Sanville_2007,Henkelman_2006,Yu_2011} the charges on the $Cu$ atom are extracted from the time-dependent electronic charge density. As the proton gets closer to the neighboring $Cu$ atom, the charges decreases gradually indicating that the $Cu$ atom loosing charges to the proton. In the range $2.0~a_0$ to $4.0~a_0$, the $Cu$ atom loses the maximum charges which is the range where the proton remains closest to the $Cu$ atom. As the proton gradually passes the $Cu$ atom, there is a back and forth movement of charges. From $8.0~a_0$, where the proton is further away from the $Cu$ atom, the charges stabilizes due to less interaction. The decrease is repeated as the proton reenter the supercell.%
%The decrease is repeated as the proton approaches the same $Cu$ atom by reentering the supercell
%back and forth movement of charges between the proton and $Cu$ atom. When the proton gradually passes the $Cu$ atom, the fraction of charges stabilizes since at that time there is less interaction. The spike is seen again when the proton approaches the same $Cu$ atom by reentering the supercell.%
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figures/radial_force/plot_force.png
Figure_ref_fig_force_on_neighbor_shows__.tex
figures/plot_force/plot_force.png
Figure_ref_fig_charge_on_copper_bader_voronoi_shows__.tex
section_Conclusion_In_this_paper__.tex
section_Acknowledgements_We_would_like__.tex