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MS (Master of Science)
Date of Award
Committee Chair or Co-Chairs
Frank B. Hagelberg, Robert B. Gardner
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.
Thesis - restricted
Corn, John Russell, "Optimization Problems in Hilbert Space with POSS Complexes." (2011). Electronic Theses and Dissertations. Paper 1381. https://dc.etsu.edu/etd/1381
Copyright by the authors.