Mathematical aspects and chemical applications of density functional theory
My Ph. D. work is about theoretical basis and applications of density functional theory (DFT). DFT has demonstrated a good balance between computing costand accuracy, so it has become one of the most popular daily-used quantum chemistry methods. The first part of my work is about the asymptotic beh...
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| Language: | English |
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University of British Columbia
2009
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| Online Access: | http://hdl.handle.net/2429/5306 |