Edwin E. Quashie edited section_Computational_and_Theoretical_Details__.tex  over 8 years ago

Commit id: e82f3fbeb7e636db54c9ab43335e9bcf5e0a3d2a

deletions | additions      

       

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.