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C..19 LTA: Local $\tau$ Approximation

LSDA exchange functional with density represented as a function of $\tau$. See reference [17] for more details.

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

\begin{dmath} E \left( \alpha \right) =1/9 c{5}^{4/5}\sqrt [5]{9} \left( {\frac... ... \sqrt [3]{3}}{ \left( {\pi }^{2} \right) ^{2/3}}} \right) ^{4/5 } ,\end{dmath}

\begin{dmath} c=-3/4 \sqrt [3]{3}\sqrt [3]{{\pi }^{-1}} ,\end{dmath}

\begin{dmath} G=1/2 E \left( 2 \tau \left( s \right) \right) .\end{dmath}


molpro@molpro.net
Nov 19, 2008