C..27 PW86:

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C..27 `PW86`:

GGA Exchange Functional. See reference [21] for more details.

$\begin{dmath} g=1/2\,E \left( 2\,\rho \left( s \right) \right) ,\end{dmath}$

$\begin{dmath} E \left( n \right) =-3/4\,\sqrt [3]{3}\sqrt [3]{{\pi }^{-1}}{n}^{4/3}F \left( S \right) ,\end{dmath}$

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

$\begin{dmath} S=1/12\,{\frac {\chi \left( s \right) {6}^{2/3}}{\sqrt [3]{{\pi }^{2}}} } ,\end{dmath}$

$\begin{dmath} G=1/2\,E \left( 2\,\rho \left( s \right) \right) .\end{dmath}$

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Sep 24, 2008