C..39 THGFL:

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C..39 `THGFL`:

Density dependent first row exchange-correlation functional for closed shell systems. See reference [25] for more details.

$\begin{dmath} t=[7/6,4/3,3/2,5/3] ,\end{dmath}$

$\begin{dmath} \omega=[- 1.06141, 0.898203,- 1.34439, 0.302369] ,\end{dmath}$

$\begin{dmath} n=4 ,\end{dmath}$

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

$\begin{dmath} f=\sum _{i=1}^{n}\omega_{{i}}R_{{i}} .\end{dmath}$

molpro@molpro.net
Sep 24, 2008