Variational Solutions in Orbital Free Density Functional Theory
This work focusses on testing and developing methods to find solutions to the variational problem at the heart of orbital free density functional theory (OF-DFT). OF-DFT is an inherently linear scaling quantum chemical method which can, in theory, be used to simulate systems with millions of atoms....
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| Format: | Thesis (University of Nottingham only) |
| Language: | English |
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2020
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| Online Access: | https://eprints.nottingham.ac.uk/60023/ |