MOLPRO Basis Query, basis=Ahlrichs-VTZ
Molpro basis library ahlrichs_vtz (Ahlrichs VTZ)
Generated from data/ahlrichs_vtz.bas at Mon Jul 5 12:39:36 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 (5s) -> [3s]
HELIUM (5s) -> [3s]
LITHIUM (10s) -> [6s]
BERYLLIUM (10s) -> [6s]
BORON (10s,6p) -> [6s,3p]
CARBON (10s,6p) -> [6s,3p]
NITROGEN (10s,6p) -> [6s,3p]
OXYGEN (10s,6p) -> [6s,3p]
FLUORINE (10s,6p) -> [6s,3p]
NEON (10s,6p) -> [6s,3p]
SODIUM (12s,6p) -> [7s,2p]
MAGNESIUM (12s,6p) -> [7s,2p]
ALUMINUM (12s9p) -> [7s5p]
SILICON (12s,9p) -> [7s,5p]
PHOSPHORUS (12s,9p) -> [7s,5p]
SULFUR (12s,9p) -> [7s,5p]
CHLORINE (12s,9p) -> [7s,5p]
ARGON (12s,9p) -> [7s,5p]
POTASSIUM (14s,9p) -> [8s,5p]
CALCIUM (14s,9p) -> [8s,5p]
SCANDIUM (14s,9p,5d) -> [8s,5p,3d]
TITANIUM (14s,9p,5d) -> [8s,5p,3d]
VANADIUM (14s,9p,5d) -> [8s,5p,3d]
CHROMIUM (14s,9p,5d) -> [8s,5p,3d]
MANGANESE (14s,9p,5d) -> [8s,5p,3d]
IRON (14s,9p,5d) -> [8s,5p,3d]
COBALT (14s,9p,5d) -> [8s,5p,3d]
NICKEL (14s,9p,5d) -> [8s,5p,3d]
COPPER (14s,9p,5d) -> [8s,5p,3d]
ZINC (13s,9p,5d) -> [8s,5p,3d]
GALLIUM (14s,11p,5p) -> [8s,6p,2d]
GERMANIUM (14s,11p,5d) -> [8s,6p,2d]
ARSENIC (14s,11p,5d) -> [8s,6p,2d]
SELENIUM (14s,11p,5d) -> [8s,6p,2d]
BROMINE (14s,11p,5d) -> [8s,6p,2d]
KRYPTON (14s,10p,5d) -> [8s,6p,2d]