C..2 B86MGC: X with Modified Gradient Correction

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C..2 `B86MGC`: X $\alpha\beta\gamma$ with Modified Gradient Correction

B86 with modified gradient correction for large density gradients. $\begin{dmath} g=-c \left( \rho \left( s \right) \right) ^{4/3}-{\frac {\beta\, ... ...ambda\, \left( \chi \left( s \right) \right) ^{2} \right) ^{4/5}}} ,\end{dmath}$

$\begin{dmath} G=-c \left( \rho \left( s \right) \right) ^{4/3}-{\frac {\beta\, ... ...ambda\, \left( \chi \left( s \right) \right) ^{2} \right) ^{4/5}}} ,\end{dmath}$

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

$\begin{dmath} \beta= 0.00375 ,\end{dmath}$

$\begin{dmath} \lambda= 0.007 .\end{dmath}$

molpro@molpro.net 2012-02-09