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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 2018-01-19