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C..51 PW92C: Perdew-Wang 1992 GGA Correlation Functional

Electron-gas correlation energy. \begin{dmath}
T=[ 0.031091, 0.015545, 0.016887]
,\end{dmath}

\begin{dmath}
U=[ 0.21370, 0.20548, 0.11125]
,\end{dmath}

\begin{dmath}
V=[ 7.5957, 14.1189, 10.357]
,\end{dmath}

\begin{dmath}
W=[ 3.5876, 6.1977, 3.6231]
,\end{dmath}

\begin{dmath}
X=[ 1.6382, 3.3662, 0.88026]
,\end{dmath}

\begin{dmath}
Y=[ 0.49294, 0.62517, 0.49671]
,\end{dmath}

\begin{dmath}
P=[1,1,1]
,\end{dmath}

\begin{dmath}
f=\rho\,\epsilon \left( \rho \left( a \right) ,\rho \left( b \right)
\right)
,\end{dmath}

\begin{dmath}
\epsilon \left( \alpha,\beta \right) =e \left( r \left( \alpha,\be...
...ght) \right) \left( \zeta
\left( \alpha,\beta \right) \right) ^{4}
,\end{dmath}

\begin{dmath}
r \left( \alpha,\beta \right) =1/4\,\sqrt [3]{3}{4}^{2/3}\sqrt [3]{{
\frac {1}{\pi \, \left( \alpha+\beta \right) }}}
,\end{dmath}

\begin{dmath}
\zeta \left( \alpha,\beta \right) ={\frac {\alpha-\beta}{\alpha+\beta}}
,\end{dmath}

\begin{dmath}
\omega \left( z \right) ={\frac { \left( 1+z \right) ^{4/3}+ \left( 1-z
\right) ^{4/3}-2}{2\,\sqrt [3]{2}-2}}
,\end{dmath}

\begin{dmath}
e \left( r,t,u,v,w,x,y,p \right) =-2\,t \left( 1+ur \right) \ln
\...
...1}{t \left( v\sqrt {r}+wr+x{r}^{3/2}+y{r}^{p+1}
\right) }} \right)
,\end{dmath}

\begin{dmath}
c= 1.709921
.\end{dmath}



molpro@molpro.net 2018-07-21