Molpro basis library dgauss_a2_xfit (DGauss A2 DFT Exchange Fitting)
Generated from dgauss_a2_xfit.bas at Tue Nov 16 18:14:20 GMT 1999
Literature Citation
Elements References
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H - Xe: N. Godbout, D. R. Salahub, J. Andzelm, and E. Wimmer, Can. J. Chem. 70
560 (1992). DGauss basis sets provided courtesy of Cray Research, Inc.
HYDROGEN (4s,1p,1d)
HELIUM (4s,1p,1d)
LITHIUM (7s,2p,1d)
BERYLLIUM (7s,2p,1d)
BORON (8s,4p,4d)
CARBON (8s,4p,4d)
NITROGEN (8s,4p,4d)
OXYGEN (8s,4p,4d)
FLUORINE (8s,4p,4d)
NEON (8s,4p,4d)
SODIUM (9s,4p,3d)
MAGNESIUM (9s,4p,3d)
ALUMINUM (9s,4p,4d)
SILICON (9s,4p,4d)
PHOSPHORUS (9s,4p,4d)
SULFUR (9s,4p,4d)
CHLORINE (9s,4p,4d)
ARGON (9s,4p,4d)
POTASSIUM (10s,5p,4d)
CALCIUM (10s,5p,4d)
SCANDIUM (10s,5p,5d)
TITANIUM (10s,5p,5d)
VANADIUM (10s,5p,5d)
CHROMIUM (10s,5p,5d)
MANGANESE (10s,5p,5d)
IRON (10s,5p,5d)
COBALT (10s,5p,5d)
NICKEL (10s,5p,5d)
COPPER (10s,5p,5d)
ZINC (10s,5p,5d)