The coupling constant averaged exchange–correlation energy density
The exchange–correlation energy, central to density-functional theory, may be represented in terms of the coupling constant averaged (CCA) exchange–correlation energy density. We present an approach to calculate the CCA energy density using accurate ab initio methods and its application to simple at...
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| Format: | Article |
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Taylor & Francis
2016
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| Online Access: | https://eprints.nottingham.ac.uk/31088/ |