Beginning with a survey of functional variation methods in classical physics, we derive the Hartree-Fock theory from canonical quantization. Following a development of density functional theory, many-body perturbation theory, and other techniques of computational condensed matter physics, we perform a systematic study of metal-polyhydride impurities in T8 and T12 polyhedral oligomeric silsesquioxane (POSS) cage molecules. Second-quantized methods motivate the derivations throughout.
Identifer | oai:union.ndltd.org:ETSU/oai:dc.etsu.edu:etd-2572 |
Date | 17 December 2011 |
Creators | Corn, John Russell |
Publisher | Digital Commons @ East Tennessee State University |
Source Sets | East Tennessee State University |
Detected Language | English |
Type | text |
Format | application/pdf |
Source | Electronic Theses and Dissertations |
Rights | Copyright by the authors. |
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