The coupling constant averaged exchange–correlation energy density

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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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Bibliographic Details
Main Authors:	Irons, Tom J.P., Teale, Andrew M.
Format:	Article
Published:	Taylor & Francis 2016
Subjects:	energy densities density-functional theory exchange-correlation adiabatic connection coupled-cluster thoery
Online Access:	https://eprints.nottingham.ac.uk/31088/

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