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Additional functional keywords are also defined as convenient aliases. The
following table gives the translations.
- LDA
- S+VWN
- DIRAC
- S
- B88
- B
- LYP88
- LYP
- B-LYP
- B88+LYP88
- B3LYP
- 0.72*B88+0.08*S+0.81*LYP88+0.19*WVN+0.2*exact exchange
P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000