Optimization Problems in Hilbert Space with POSS Complexes.

<p>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 <em>T</em>₈ and <em>T</em>₁₂ polyhedral oligomeric silsesquioxane (POSS) cage molecules. Second-quantized methods motivate the derivations throughout.</p>

Name thesis:degree_name

MS (Master of Science)

Level thesis:degree_level

Thesis - restricted

Discipline thesis:degree_discipline

Mathematical Sciences

Year dc:date.issued

2011

Author dc:creator

• Corn, John Russell

• POSS
• quantum chemistry
• calculus of variations
• Condensed Matter Physics
• Physical Sciences and Mathematics
• Physics

Statement dc:rights

• Copyright by the authors.

Repository record dc:identifier

https://dc.etsu.edu/etd/1381

OAI identifier oai:identifier

oai:dc.etsu.edu:etd-2572