MOLPRO Basis Query, basis=Ahlrichs-VDZ
Molpro basis library ahlrichs_vdz (Ahlrichs VDZ)
Generated from data/ahlrichs_vdz.bas at Mon Jul 5 12:38:06 BST 1999
Literature Citation
Elements References
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H - Kr: A. Schafer, H. Horn and R. Ahlrichs, J. Chem. Phys. 97, 2571 (1992).
HYDROGEN (4s) -> [2s]
HELIUM (4s) -> [2s]
LITHIUM (7s) -> [3s]
BERYLLIUM (7s) -> [3s]
BORON (7s,4p) -> [3s,2p]
CARBON (7s,4p) -> [3s,2p]
NITROGEN (7s,4p) -> [3s,2p]
OXYGEN (7s,4p) -> [3s,2p]
FLUORINE (7s,4p) -> [3s,2p]
NEON (7s,4p) -> [3s,2p]
SODIUM (10s,5p) -> [4s,1p]
MAGNESIUM (10s,5p) -> [4s,1p]
ALUMINUM (10s,7p) -> [4s,3p]
SILICON (10s,7p) -> [4s,3p]
PHOSPHORUS (10s,7p) -> [4s,3p]
SULFUR (10s,7p) -> [4s,3p]
CHLORINE (10s,7p) -> [4s,3p]
ARGON (10s,7p) -> [4s,3p]
POTASSIUM (14s,8p) -> [5s,2p]
CALCIUM (14s,8p) -> [5s,2p]
SCANDIUM (14s,8p,5d) -> [5s,2p,2d]
TITANIUM (14s,8p,5d) -> [5s,2p,2d]
VANADIUM (14s,8p,5d) -> [5s,2p,2d]
CHROMIUM (14s,8p,5d) -> [5s,2p,2d]
MANGANESE (14s,8p,5d) -> [5s,2p,2d]
IRON (14s,8p,5d) -> [5s,2p,2d]
COBALT (14s,8p,5d) -> [5s,2p,2d]
NICKEL (14s,8p,5d) -> [5s,2p,2d]
COPPER (14s,8p,5d) -> [5s,2p,2d]
ZINC (13s,8p,5d) -> [5s,2p,2d]
GALLIUM (14s,10p,5d) -> [5s,4p,2d]
GERMANIUM (14s,10p,5d) -> [5s,4p,2d]
ARSENIC (14s,10p,5d) -> [5s,4p,2d]
SELENIUM (14s,10p,5d) -> [5s,4p,2d]
BROMINE (14s,10p,5d) -> [5s,4p,2d]
KRYPTON (14s,10p,5d) -> [5s,4p,2d]