Molpro basis library dgauss_a1_cfit (DGauss A1 DFT Coulomb Fitting)
Generated from dgauss_a1_cfit.bas at Tue Nov 16 18:13:13 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 DeMon (5,5)
ARSENIC DeMon (5,5)
SELENIUM DeMon (5,5)
BROMINE DeMon (5,5)
KRYPTON (10s,5p,5d)
RUBIDIUM (11s,6p,5d)
STRONTIUM (11s,6p,5d)
YTTRIUM (10s,5p,5d)
ZIRCONIUM (10s,5p,5d)
NIOBIUM DeMon (5,5)
MOLYBDENUM DeMon (5,5)
TECHNETIUM DeMon (5,5)
RUTHENIUM DeMon (5,5)
RHODIUM DeMon (5,5)
PALLADIUM DeMon (5,5)
SILVER DeMon (5,5)
CADMIUM DeMon (5,5)
INDIUM DeMon (5,5)
TIN DeMon (5,5)