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18.1.4 B88C:
A. D. Becke, J. Chem. Phys. 88, 1053 (1988)
Correlation functional depending on the B86MGC exchange functional with
empirical atomic parameters, and . B86MGC should be used in conjunction
with B88C.
where
|
(16) |
|
(17) |
|
(18) |
|
(19) |
|
(20) |
|
(21) |
|
(22) |
|
(23) |
|
(24) |
|
(25) |
and
|
(26) |
Next: 18.1.5 B88:
Up: 18.1 Density Functionals
Previous: 18.1.3 B86R: X Re-optimised
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002