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Spin polarised exchange correlation

An equivalent set of exchange-correlation terms have been derived for the spin polarised case. Since all of the calculations performed in this thesis are spin averaged I will not describe the methodology here but list the relevant equations for completeness.

\tilde{E}_{xc} = \sum_{ks} d_{k,s}\varepsilon_{k,s},\end{displaymath} (30)


Chris Ewels