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Alfredo A. Correa deleted In_Figure_ref_fig_charge_on_proton_bader_voronoi__.tex
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Commit id: 26c6e4a37768029b43cb07552575c068b6c77ea3
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In Figure \ref{fig:charge_on_proton_bader_voronoi} the electronic charge transfer values relative to the initial state during the $\mathrm{H^+}$ trajectory as a function of its position in the crystal moving with velocity, $v = 1.8 ~\mathrm{a.u.}$ is shown. The charges gained by the proton are extracted from the $n(\textbf r, t)$ by using a Bader program. The charges gained by the $\mathrm{H^+}$ oscillates throughout its trajectory and more charges are accumulated when its closest to a neighboring $Cu$ atom. Before $\mathrm{H^+}$ reenters the periodic supercell ($\gtrsim 20.46~a_0$) the maximum charges gained remains relatively constant but gradually starts increasing after reentering; it thus shows that the proton is picking up more charges from the target atoms.%
%Since the proton is placed in the crystal before the ground state calculation, it has obtained a charge of $1.2292$ which is expected just before it starts moving in the crystal. Each time the proton crosses a unit cell the value of the charge oscillate per unit cell traversed.%
%
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Figure_ref_fig_force_on_neighbor_shows__.tex
figures/plot_force/plot_force.png
Figure_ref_fig_charge_on_copper_bader_voronoi_shows__.tex
In_Figure_ref_fig_charge_on_proton_bader_voronoi__.tex
section_Conclusion_In_this_paper__.tex
section_Acknowledgements_We_would_like__.tex