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17.1.7 Alias functional descriptions

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