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18.1.32 TH2:
D. J. Tozer and N. C. Handy, J. Chem. Phys. 102, 3162 (1998)
Density and gradient dependent first row exchange-correlation functional of
the form TH1 but with
|
(179) |
|
(181) |
|
(182) |
|
(183) |
and
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P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002