C..29 PW91X: Perdew-Wang 1991 GGA Exchange Functional

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C..29 `PW91X`: Perdew-Wang 1991 GGA Exchange Functional

See reference [5] for more details.

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

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

$\begin{dmath} E \left( n \right) =-3/4\,{\frac {\sqrt [3]{3}\sqrt [3]{{\pi }^{2}}{n}^ {4/3}F \left( S \right) }{\pi }} ,\end{dmath}$

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

$\begin{dmath} F \left( S \right) ={\frac {1+ 0.19645\,S{\it arcsinh} \left( 7.79... ....19645\,S{\it arcsinh} \left( 7.7956\,S \right) + 0.004\,{S}^{4} }} .\end{dmath}$

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Sep 24, 2008