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C..41 THGFL:

Density dependent first row exchange-correlation functional for closed shell systems. See reference [26] for more details.

\begin{dmath} K= \sum _{i=1}^{n}\omega_{{i}}R_{{i}} ,\end{dmath} where \begin{dmath} n=4 ,\end{dmath} \begin{dmath} R_{{i}}= \left( \rho_{\alpha} \right) ^{t_{{i}}}+ \left( \rho_{\beta} \right) ^{t_{{i}}} ,\end{dmath} \begin{dmath} t = [7/6,4/3,3/2,5/3] \end{dmath} and \begin{dmath} \omega = [- 1.06141, 0.898203,- 1.34439, 0.302369] .\end{dmath}

molpro@molpro.net
Oct 10, 2007