Expansion of the NRL Tight-Binding Method to Include f-orbitals and Application in Thorium and Actinium

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dc.contributor.advisorPapaconstantopoulos, Dimitrios A.
dc.contributor.authorDurgavich, Joel
dc.creatorDurgavich, Joel
dc.date.accessioned2013-03-29T21:06:32Z
dc.date.available2013-03-29T21:06:32Z
dc.date.issued2012
dc.description.abstractThe current NRL Tight-Binding suite of programs was designed to only include s, p, and d orbitals in the basis. Because of this limitation, materials which have significant f orbital interactions could not be modeled in the current program. My dissertation expanded the NRL Tight Binding program to account for f orbital interactions and then used the modified program to investigate Thorium and Actinium, materials whose properties are influenced
dc.format.extent122 pages
dc.identifier.urihttps://hdl.handle.net/1920/8121
dc.language.isoen
dc.rightsCopyright 2012 Joel Durgavich
dc.subjectPhysics
dc.subjectComputer science
dc.subjectActinium
dc.subjectF-Orbitals
dc.subjectPhysics
dc.subjectSlater-Koster
dc.subjectThorium
dc.subjectTight-Binding
dc.titleExpansion of the NRL Tight-Binding Method to Include f-orbitals and Application in Thorium and Actinium
dc.typeDissertation
thesis.degree.disciplineComputational Sciences and Informatics
thesis.degree.grantorGeorge Mason University
thesis.degree.levelDoctoral

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