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

dc.contributor.advisorVarga, Kálmán, 1963-
dc.contributor.authorWyatt, Benjamin
dc.date.accessioned2012-05-04T17:29:38Z
dc.date.available2012-05-04T17:29:38Z
dc.date.issued2012-05-04
dc.identifier.urihttp://hdl.handle.net/1803/5092
dc.description.abstractDensity 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.isoen_USen_US
dc.publisherVanderbilt University. Dept. of Physics and Astronomy
dc.subjectdensity functional theoryen_US
dc.subjectlow-energy electron diffractionen_US
dc.subjectattoseconden_US
dc.subjectelectronen_US
dc.subjectLEED measurementsen_US
dc.subject.lcshDensity functionalsen_US
dc.subject.lcshLow energy electron diffractionen_US
dc.subject.lcshElectrons -- Scatteringen_US
dc.titleReal-time real-space density functional theory calculations of electron scattering in materialsen_US
dc.typeThesisen_US
dc.description.collegeVanderbilt University. College of Arts and Scienceen_US
dc.description.departmentVanderbilt University. Dept. of Physics and Astronomyen_US


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