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Alfredo A. Correa edited Recently_from_a_phenomenological_point__.tex
over 8 years ago
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It is an attractive method because it is both self-consistency and non-perturbative way \cite{Kohn_1965} and allowed for an atomistic \emph{ab initio} description at a reasonable computational cost for simulation cells below a few hundred atoms.
Alternatively, time dependent tight-binding have been proposed as well to overcome some size limitations \cite{Mason_2012} at the price of additional approximations.
In studying the role of ion-solid interactions in $\mathrm{H^+ + Al}$, Correa \emph{et al.} \cite{Correa_2012} have shown that the electronic excitations due to molecular dynamics (MD) are quite different from the adiabatic outcome.
Even today the inclusion of non-adiabatic effects in a real calculation poses a challenging problem.
In studying the role of ion-solid interactions in $\mathrm{H^+ + Al}$, Correa \emph{et al.} \cite{Correa_2012} have shown that the electronic excitations affects the interatomic forces relative to the adiabatic outcome.
Recently Schleife \emph{et al.} \cite{Schleife_2015} have calculated the electronic stopping $(S_\text{e}$ by $\mathrm{H}$ and $\mathrm{He}$ projectile including non-adiabatic interactions and found that off-channeling trajectories along with the inclusion of semicore electrons enhance $S_\text{e}$ resulting
in better agreement with the experiment.
In this case we concentrate in a metal with a richer electronic band structure around the Fermi energy.