Molpro basis library dgauss_a1_xfit (DGauss A1 DFT Exchange Fitting)
Generated from dgauss_a1_xfit.bas at Tue Nov 16 18:13:30 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)
HELIUM (4s)
LITHIUM (7s,2p,1d)
BERYLLIUM (7s,2p,1d)
BORON (7s,3p,3d)
CARBON (7s,3p,3d)
NITROGEN (7s,3p,3d)
OXYGEN (7s,3p,3d)
FLUORINE (7s,3p,3d)
NEON (7s,3p,3d)
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)
GALLIUM (10s,5p,5d)
GERMANIUM (10s,5p,5d)
ARSENIC (10s,5p,5d)
SELENIUM (10s,5p,5d)
BROMINE (10s,5p,5d)
KRYPTON (10s,5p,5d)
RUBIDIUM (11s,6p,5d)
STRONTIUM (11s,6p,5d)
YTTRIUM (10s,5p,5d)
ZIRCONIUM (10s,5p,5d)
NIOBIUM (10s,5p,5d)
MOLYBDENUM (10s,5p,5d)
TECHNETIUM (10s,5p,5d)
RUTHENIUM (10s,5p,5d)
RHODIUM (10s,5p,5d)
PALLADIUM (10s,5p,5d)
SILVER (10s,5p,5d)
CADMIUM (10s,5p,5d)
INDIUM (10s,5p,5d)
TIN (10s,5p,5d)