19.1.41 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

B88X

B

LYP88

LYP

B-LYP

B88+LYP88

B3LYP

0.72*B88+0.08*S+0.81*LYP88+0.19*VWN+0.2*exact exchange

B97

B97DF+0.1943*exact exchange

B97R

B97RDF+0.21*exact exchange

PBE0

PBE0DF+0.25*exact exchange

LSDAC

PW92C

LSDC

PW92C

VS99

VSXC