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C..5 B88CMASK:

Xq is the q component of an exchange functional with parameters $t$ and $u$ to be used in conjunction with B88C. See reference [11] for more details.

\begin{dmath} K= - 0.8\,\rho_{\alpha}\rho_{\beta}{q}^{2} \left( 1-{\frac {\ln \l... ...{4} \left( 1-2\,{\frac {\ln \left( 1+1/2\,z \right) }{z}} \right) ,\end{dmath} where \begin{dmath} q=t \left( x+y \right) ,\end{dmath} \begin{dmath} x= 0.5\,{\frac {\rho_{\alpha}}{{\it Xa}}} ,\end{dmath} \begin{dmath} y= 0.5\,{\frac {\rho_{\beta}}{{\it Xb}}} ,\end{dmath} \begin{dmath} on line 4, syntax error, \lq :\lq unexpected: : ^ ,\end{dmath} \begin{dmath} z=2\,ur ,\end{dmath} \begin{dmath} r= 0.5\,{\frac {\rho_{s}}{{\it Xs}}} ,\end{dmath} \begin{dmath} on line 4, syntax error, \lq :\lq unexpected: : ^ ,\end{dmath} \begin{dmath} d=\tau_{s}-1/4\,{\frac {\sigma_{ss}}{\rho_{s}}} ,\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} and \begin{dmath} \lambda= 0.007 .\end{dmath} To avoid singularities in the limit $\rho_{\bar{s}}\rightarrow 0$ \begin{dmath} G= - 0.01\,\rho_{s}d{z}^{4} \left( 1-2\,{\frac {\ln \left( 1+1/2\,z \right) }{z}} \right) .\end{dmath}

molpro@molpro.net
Oct 10, 2007