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18.1.3 B86R: X ${\alpha \beta \gamma }$ Re-optimised

A. D. Becke, J. Chem. Phys. 107, 8554 (1997)

Re-optimised $\beta$ of B86 used in part 3 of Becke's 1997 paper.


\begin{displaymath} \beta= 0.00787 \end{displaymath} (14)


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