Real-time real-space density functional theory calculations of electron scattering in materials
Wyatt, Benjamin
:
2012-05-04
Abstract
Density functional theory is utilized in real-time,
real-space simulations of LEED measurements and attosecond electron
scattering. For LEED measurements, we find that our simulation results
agree well with experimental data and other theoretical approaches.
For attosecond electron scattering, we find that the wavefunction of
the scattered electron is not signficantly changed by the scattering
process, and the measured electron density seems to be related to the
initial form of the wave-packet. However, further investigation is
needed to confirm these results for different choices of initial form.
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