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

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dc.contributor.advisor Varga, Kálmán, 1963-
dc.contributor.author Wyatt, Benjamin
dc.date.accessioned 2012-05-04T17:29:38Z
dc.date.available 2012-05-04T17:29:38Z
dc.date.issued 2012-05-04
dc.identifier.uri http://hdl.handle.net/1803/5092
dc.description.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. en_US
dc.language.iso en_US en_US
dc.publisher Vanderbilt University. Dept. of Physics and Astronomy
dc.subject density functional theory en_US
dc.subject low-energy electron diffraction en_US
dc.subject attosecond en_US
dc.subject electron en_US
dc.subject LEED measurements en_US
dc.subject.lcsh Density functionals en_US
dc.subject.lcsh Low energy electron diffraction en_US
dc.subject.lcsh Electrons -- Scattering en_US
dc.title Real-time real-space density functional theory calculations of electron scattering in materials en_US
dc.type Thesis en_US
dc.description.college Vanderbilt University. College of Arts and Science en_US
dc.description.department Vanderbilt University. Dept. of Physics and Astronomy en_US


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