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Edwin Quashie edited section_Computational_and_Theoretical_Details__.tex
almost 9 years ago
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\section{Computational and Theoretical Details}
In this work we employed the formalism of TDDFT coupled with Ehrenfest molecular dynamics (EMD) to simulate the collision processes
between the target electrons and the ion (proton).
In this theoretical framework, the The dynamics of the electrons are treated quantum mechanically described by TDDFT and the nuclei are point particles treated classically using EMD.