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C..54 TH1: Tozer and Handy 1998

Density and gradient dependent first row exchange-correlation functional. \begin{dmath}
t=[7/6,4/3,3/2,5/3,4/3,3/2,5/3,{\frac {11}{6}},3/2,5/3,{\frac {11}{6}},
2,3/2,5/3,{\frac {11}{6}},2,7/6,4/3,3/2,5/3,1]
,\end{dmath}

\begin{dmath}
u=[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,1,0]
,\end{dmath}

\begin{dmath}
v=[0,0,0,0,1,1,1,1,2,2,2,2,0,0,0,0,0,0,0,0,0]
,\end{dmath}

\begin{dmath}
w=[0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,1,0,0,0,0,0]
,\end{dmath}

\begin{dmath}
\omega=[- 0.728255, 0.331699,- 1.02946, 0.235703,- 0.0876221, 0.14...
...44891, 0.0386577,- 0.352519, 2.19805,-
3.72927, 1.94441, 0.128877]
,\end{dmath}

\begin{dmath}
n=21
,\end{dmath}

\begin{dmath}
R_{{i}}= \left( \rho \left( a \right) \right) ^{t_{{i}}}+ \left( \rho
\left( b \right) \right) ^{t_{{i}}}
,\end{dmath}

\begin{dmath}
S_{{i}}= \left( {\frac {\rho \left( a \right) -\rho \left( b \right) }{
\rho}} \right) ^{2\,u_{{i}}}
,\end{dmath}

\begin{dmath}
X_{{i}}=1/2\,{\frac { \left( \sqrt {\sigma \left( {\it aa} \right)...
...ft( {\it bb} \right) }
\right) ^{v_{{i}}}}{{\rho}^{4/3\,v_{{i}}}}}
,\end{dmath}

\begin{dmath}
Y_{{i}}= \left( {\frac {\sigma \left( {\it aa} \right) +\sigma \le...
...\sigma \left( {\it bb} \right) }}{{\rho}^{8/3}}} \right) ^{w_{{i}}}
,\end{dmath}

\begin{dmath}
f=\sum _{i=1}^{n}\omega_{{i}}R_{{i}}S_{{i}}X_{{i}}Y_{{i}}
,\end{dmath}

\begin{dmath}
G=\sum _{i=1}^{n}1/2\,\omega_{{i}} \left( \rho \left( s \right)
\...
... \left( \rho \left( s \right) \right) ^{4/3\,v_{{i}}} \right)
^{-1}
.\end{dmath}



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