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Edwin E. Quashie edited Figure_ref_fig_charge_on_proton_bader_voronoi_gathers__.tex
over 8 years ago
Commit id: bec5194c68c7faa27dee06a92c31b3ab1953d3a0
deletions | additions
diff --git a/Figure_ref_fig_charge_on_proton_bader_voronoi_gathers__.tex b/Figure_ref_fig_charge_on_proton_bader_voronoi_gathers__.tex
index 945876e..5ce8cbc 100644
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Figure \ref{fig:charge_on_proton_bader_voronoi}
gathers shows the
relative electronic charge transfer values
with respect 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.