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18.1.25 PW86:

J. P. Perdew and Y. Wang, Phys. Rev. B 33, 8800 (1986)


\begin{displaymath}
K=\frac{1}{2}
\sum_s
E(2 \rho_{s})
,\end{displaymath} (126)

where
\begin{displaymath}
E(n)=-\frac{3}{4}\left(\frac {3}{\pi}\right)^{1/3}{n}^{4/3}F(S)
,\end{displaymath} (127)


\begin{displaymath}
F(S)=\left (1+ 1.296 {S}^{2}+14 {S}^{4}+ 0.2 {S}^{6}\right )^{1/15}
\end{displaymath} (128)

and
\begin{displaymath}
S={\frac {\chi_{s}}{2\left(6{{\pi }^{2}}\right)^{1/3}}}
.\end{displaymath} (129)



P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002