MOLPRO Basis Query, basis=Ahlrichs-TZv
Molpro basis library ahlrichs_tzv (Ahlrichs TZV)
Generated from ahlrichs_tzv.bas at Tue Nov 16 17:54:19 GMT 1999
Literature Citation
Elements References
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Li - Kr: A. Schafer, C. Huber and R. Ahlrichs, J. Chem. Phys. 100, 5829 (1994)
LITHIUM (11s) -> [5s]
BERYLLIUM (11s) -> [5s]
BORON (11s,6p) -> [5s,3p]
CARBON (11s,6p) -> [5s,3p]
NITROGEN (11s,6p) -> [5s,3p]
OXYGEN (11s,6p) -> [5s,3p]
FLUORINE (11s,6p) -> [5s,3p]
NEON (11s,6p) -> [5s,3p]
SODIUM (14s,6p) -> [5s,2p]
MAGNESIUM (14s,6p) -> [5s,2p]
ALUMINUM (14s,9p) -> [5s,4p]
SILICON (14s,9p) -> [5s,4p]
PHOSPHORUS (14s,9p) -> [5s,4p]
SULFUR (14s,9p) -> [5s,4p]
CHLORINE (14s,9p) -> [5s,4p]
ARGON (14s,9p) -> [5s,4p]
POTASSIUM (17s,10p) -> [6s,3p]
CALCIUM (17s,10p) -> [6s,3p]
SCANDIUM (17s,10p,6d) -> [6s,3p,3d]
TITANIUM (17s,10p,6d) -> [6s,3p,3d]
VANADIUM (17s,10p,6d) -> [6s,3p,3d]
CHROMIUM (17s,10p,6d) -> [6s,3p,3d]
MANGANESE (17s,10p,6d) -> [6s,3p,3d]
IRON (17s,10p,6d) -> [6s,3p,3d]
COBALT (17s,10p,6d) -> [6s,3p,3d]
NICKEL (17s,10p,6d) -> [6s,3p,3d]
COPPER (17s,10p,6d) -> [6s,3p,3d]
ZINC (17s,10p,6d) -> [6s,3p,3d]
GALLIUM (17s,12p,6p) -> [6s,5p,2d]
GERMANIUM (17s,12p,6p) -> [6s,5p,2d]
ARSENIC (17s,13p,6p) -> [6s,5p,2d]
SELENIUM (17s,13p,6p) -> [6s,5p,2d]
BROMINE (17s,13p,6p) -> [6s,5p,2d]
KRYPTON (17s,13p,6p) -> [6s,5p,2d]