18.1.13 G96: Gill's 1996 Gradient Corrected Exchange Functional

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P. M. W. Gill, Mol. Phys. 89, 433 (1996)

$\begin{displaymath} K= \sum_s \rho_{s}^{4/3}\left (\alpha-{\frac {1}{137}} \chi_{s}^{3/2}\right ) ,\end{displaymath}$

(63)

where

$\begin{displaymath} \alpha=-\frac{3}{2}\left (\frac{3}{4\pi}\right )^{1/3} .\end{displaymath}$

(64)

P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002