C..4 B88: Becke 1988 Exchange Functional

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C..4 `B88`: Becke 1988 Exchange Functional

See reference [1] for more details.

$\begin{dmath} G=- \left( \rho \left( s \right) \right) ^{4/3} \left( c+{\frac {\... ...ht) {\it arcsinh} \left( \chi \left( s \right) \right) }} \right) ,\end{dmath}$

$\begin{dmath} g=- \left( \rho \left( s \right) \right) ^{4/3} \left( c+{\frac {\... ...ht) {\it arcsinh} \left( \chi \left( s \right) \right) }} \right) ,\end{dmath}$

$\begin{dmath} c=3/8\,\sqrt [3]{3}{4}^{2/3}\sqrt [3]{{\pi }^{-1}} ,\end{dmath}$

$\begin{dmath} \beta= 0.0042 .\end{dmath}$

molpro@molpro.net
Sep 24, 2008