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Edwin E. Quashie edited section_Computational_and_Theoretical_Details__.tex
over 8 years ago
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Following the method introduced by Pruneda {\emph et al.} \cite{Pruneda_2005} the projectile is then allowed to move with a constant velocity subjected to a straight uniform movement along a [100] channeling trajectory (also called hyper-channeling trajectory). This minimizes the collision of the projectile with the host atoms.
In the off-channeling case the projectile takes a random trajectory through the host material yielding a stronger interaction between the projectile and the host atom due large charge density close to the target.
Following the scheme \cite{Schleife_2012} the TDKS equation (see
\ref{eq:tdks1}) Eq.\ref{eq:tdks1}) was then solved numerically. A time step of $0.121~\mathrm{attoseconds}$ was used, which is below the stability limit for the numerical explicit time-integration scheme for these type of basis set.
The resultant wave functions were then propagated for several femtoseconds.
The total electronic energy ($E$) of the system changes as a function of the projectile position ($x$) since the projectile (forced to maintain its velocity) deposits energy into the electronic system as it moves through the host atoms.