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

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dc.contributor.advisor Papaconstantopoulos, Dimitrios A.
dc.contributor.author Durgavich, Joel
dc.creator Durgavich, Joel en_US
dc.date.accessioned 2013-03-29T21:06:32Z
dc.date.available 2013-03-29T21:06:32Z
dc.date.issued 2012 en_US
dc.identifier.uri https://hdl.handle.net/1920/8121
dc.description.abstract The 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.extent 122 pages en_US
dc.language.iso en en_US
dc.rights Copyright 2012 Joel Durgavich en_US
dc.subject Physics en_US
dc.subject Computer science en_US
dc.subject Actinium en_US
dc.subject f-Orbitals en_US
dc.subject Physics en_US
dc.subject Slater-Koster en_US
dc.subject Thorium en_US
dc.subject Tight-Binding en_US
dc.title Expansion of the NRL Tight-Binding Method to Include f-orbitals and Application in Thorium and Actinium en_US
dc.type Dissertation en
thesis.degree.level Doctoral en
thesis.degree.discipline Computational Sciences and Informatics en
thesis.degree.grantor George Mason University en


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