Molpro basis library dgauss_a2_cfit (DGauss A2 DFT Coulomb Fitting)
Generated from data/dgauss_a2_cfit.bas at Mon Jul 5 13:14:48 BST 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)
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)