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Real-time real-space density functional theory calculations of electron scattering in materials
(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 ...
Simulations of Nano-Structures in Time Dependent External Fields
(Vanderbilt University. Department of Physics and Astronomy, 2013-04-22)
Time Dependent Density Functional Theory is used to probe the
structure of matter. Coulomb explosion of small hydrocarbons driven by
strong laser pulses and electron holography of molecules are studied
in a theoretical ...