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18.1.20 MK00B: Exchange Functional for Accurate Virtual Orbital Energies
F. R. Manby and P. J. Knowles, J. Chem. Phys. 112, 7002 (2000)
MK00 with gradient correction of the form of B88X.
|
(93) |
where
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(94) |
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002