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Edwin E. Quashie edited Figure_ref_fig_charge_on_proton_bader_voronoi_shows__.tex
over 8 years ago
Commit id: 4155813f251462ec6a21ba62cfa98260e174b9e8
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Figure \ref{fig:charge_on_proton_bader_voronoi} shows the
relative electronic charge transfer values
with respect relative to the initial state during the projectile trajectory as a function of its position in the crystal moving with velocity, $v = 1.8 ~\mathrm{a.u.}$. 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.