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Real-time real-space density functional theory calculations of electron scattering in materials

Wyatt, Benjamin (Vanderbilt University. Dept. of Physics and Astronomy, 2012-05-04)

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 ...

High-energy attosecond-width electron diffraction simulations

Kidd, Daniel (Vanderbilt University. Department of Physics and Astronomy, 2013-04-22)

Electron microscopy has been the recent subject of molecular imaging due to the strength of the electrons' interaction with the target molecule making for a detailed pattern at a small scale.[1] To achieve the best 4D ...