Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach
The essential aspects of zero-temperature grand-canonical ensemble density-functional theory are reviewed in the context of spin-density-functional theory and are used to highlight the assumption of symmetry between electron addition and subtraction that underlies the corrected Koopmans approach of...
| Main Authors: | , , , |
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| Format: | Article |
| Published: |
Royal Society of Chemistry
2014
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| Online Access: | https://eprints.nottingham.ac.uk/31101/ |