this is for holding javascript data
Alfredo A. Correa edited section_Computational_and_Theoretical_Details__.tex
over 8 years ago
Commit id: 29d732b7f92c35fc0e26a0355754a98834cdb72f
deletions | additions
diff --git a/section_Computational_and_Theoretical_Details__.tex b/section_Computational_and_Theoretical_Details__.tex
index 6664d0e..67088bc 100644
--- a/section_Computational_and_Theoretical_Details__.tex
+++ b/section_Computational_and_Theoretical_Details__.tex
...
In this work we employed the formalism of TDDFT coupled with Ehrenfest molecular dynamics (EMD) \cite{Gross_1996,Calvayrac_2000,Mason_2007,Alonso_2008,Andrade_2009} to simulate the collision processes between the target electrons and the ion (proton).
Within the TDDFT-EMD method, the dynamics of the electrons are treated quantum mechanically described by TDDFT and the nuclei are point particles treated classically using EMD.
We use the method
is to calculate most microscopic quantities along the process (forces, electronic density, charges, etc),
in particular we
describe report the calculation of electronic stopping power $S_\text{e}$ that can be directly compared with experiment.
%We compared our results with those contained in \textsc{SRIM} database for the case of proton in $\mathrm{Cu}$.