Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach

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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...

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Bibliographic Details
Main Authors:	Teale, Andrew M., De Proft, F., Geerlings, P., Tozer, David J.
Format:	Article
Published:	Royal Society of Chemistry 2014
Online Access:	https://eprints.nottingham.ac.uk/31101/

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