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C..7 B88: Becke88 Exchange Functional

See reference [1] for more details.

\begin{dmath}
K=
\sum_s
- \left( \rho_{s} \right) ^{4/3} \left( c+{\frac {\beta\...
...ta\,\chi_{s}{\,\text{arcsinh}} \left(
\chi_{s} \right) }} \right)
,\end{dmath} where \begin{dmath}
c=3/8\,\sqrt [3]{3}{4}^{2/3}\sqrt [3]{{\pi }^{-1}}
\end{dmath} and \begin{dmath}
\beta= 0.0042
.\end{dmath} To avoid singularities in the limit $\rho_{\bar{s}}\rightarrow 0$ \begin{dmath}
G=
- \left( \rho_{s} \right) ^{4/3} \left( c+{\frac {\beta\, \left...
...ta\,\chi_{s}{\,\text{arcsinh}} \left(
\chi_{s} \right) }} \right)
.\end{dmath}


molpro@molpro.net
Oct 10, 2007