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19.1.20 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.
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(93) |
where
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(94) |
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Feb 26, 2003