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C..17 G96: Gill's 1996 Gradient Corrected Exchange Functional

See reference [16] for more details.

\begin{dmath}
K=
\sum_s
\left( \rho_{s} \right) ^{4/3} \left( \alpha-{\frac {1}{137}}\,
\left( \chi_{s} \right) ^{3/2} \right)
,\end{dmath} where \begin{dmath}
\alpha=-3/8\,\sqrt [3]{3}{4}^{2/3}\sqrt [3]{{\pi }^{-1}}
.\end{dmath} To avoid singularities in the limit $\rho_{\bar{s}}\rightarrow 0$ \begin{dmath}
G=
\left( \rho_{s} \right) ^{4/3} \left( \alpha-{\frac {1}{137}}\,
\left( \chi_{s} \right) ^{3/2} \right)
.\end{dmath}


molpro@molpro.net
Oct 10, 2007