Molpro basis library sbkjc (SBKJC VDZ ECP)
Generated from data/sbkjc.bas at Mon Jul 5 16:50:39 BST 1999
Literature Citation
H - HE: J.S. BINKLEY, J.A. POPLE, W.J.HEHRE, J. AM. CHEM. SOC. 102, 939 (1980)
LI- AR: W.J. STEVENS, H. BASCH, M. KRAUSS, J. CHEM. PHYS. 81, 6026 (1984)
K - RN: W.J. STEVENS, M. KRAUSS, H. BASCH, P. G. JASIEN, CAN. J. CHEM. 70,
612 (1992)
CE - LU:T. R. CUNDARI AND W.J. STEVENS, J. CHEM. PHYS. 98, 5555 (1993)
HYDROGEN (3s) -> [2s]
HELIUM (3s) -> [2s]
LITHIUM (4s,4p) -> [2s,2p]
BERYLLIUM (4s,4p) -> [2s,2p]
BORON (4s,4p) -> [2s,2p]
CARBON (4s,4p) -> [2s,2p]
NITROGEN (4s,4p) -> [2s,2p]
OXYGEN (4s,4p) -> [2s,2p]
FLUORINE (4s,4p) -> [2s,2p]
NEON (4s,4p) -> [2s,2p]
SODIUM (4s,4p) -> [2s,2p]
MAGNESIUM (4s,4p) -> [2s,2p]
ALUMINUM (4s,4p) -> [2s,2p]
SILICON (4s,4p) -> [2s,2p]
PHOSPHORUS (4s,4p) -> [2s,2p]
SULFUR (4s,4p) -> [2s,2p]
CHLORINE (4s,4p) -> [2s,2p]
ARGON (4s,4p) -> [2s,2p]
POTASSIUM (4s,4p) -> [2s,2p]
CALCIUM (4s,4p) -> [2s,2p]
SCANDIUM (8s,8p,6d) -> [4s,4p,3d]
TITANIUM (8s,8p,6d) -> [4s,4p,3d]
VANADIUM (8s,8p,6d) -> [4s,4p,3d]
CHROMIUM (8s,8p,6d) -> [4s,4p,3d]
MANGANESE (8s,8p,6d) -> [4s,4p,3d]
IRON (8s,8p,6d) -> [4s,4p,3d]
COBALT (8s,8p,6d) -> [4s,4p,3d]
NICKEL (8s,8p,6d) -> [4s,4p,3d]
COPPER (8s,8p,6d) -> [4s,4p,3d]
ZINC (8s,8p,6d) -> [4s,4p,3d]
GALLIUM (8s,8p,6d] -> [4s,4p,3d]
GERMANIUM (5s,5p) -> [2s,2p]
ARSENIC (5s,5p) -> [2s,2p]
SELENIUM (5s,5p) -> [2s,2p]
BROMINE (5s,5p) -> [2s,2p]
KRYPTON (5s,5p) -> [2s,2p]
RUBIDIUM (4s,4p) -> [2s,2p]
STRONTIUM (4s,4p) -> [2s,2p]
YTTRIUM (8s,8p,5d) -> [4s,4p,3d]
ZIRCONIUM (8s,8p,5d) -> [4s,4p,3d]
NIOBIUM (8s,8p,5d) -> [4s,4p,3d]
MOLYBDENUM (8s,8p,5d) -> [4s,4p,3d]
TECHNETIUM (8s,8p,5d) -> [4s,4p,3d]
RUTHENIUM (8s,8p,5d) -> [4s,4p,3d]
RHODIUM (8s,8p,5d) -> [4s,4p,3d]
PALLADIUM (8s,8p,5d) -> [4s,4p,3d]
SILVER (8s,8p,5d) -> [4s,4p,3d]
CADMIUM (8s,8p,5d) -> [4s,4p,3d]
INDIUM (8s,8p,5d) -> [4s,4p,3d]
TIN (5s,5p) -> [2s,2p]
ANTIMONY (5s,5p) -> [2s,2p]
TELLERIUM (5s,5p) -> [2s,2p]
IODINE (5s,5p) -> [2s,2p]
XENON (5s,5p) -> [2s,2p]
CESIUM (5s,5p) -> [2s,2p]
BARIUM (5s,5p) -> [2s,2p]
LANTHANUM (9s,9p,5d) -> [4s,4p,3d]
CERIUM (6s,6p,3d,7f) -> [4s,4p,2d,2f]
HAFNIUM (7s,7p,5d) -> [4s,4p,3d]
TANTALUM (7s,7p,5d) -> [4s,4p,3d]
WOLFFRAM (7s,7p,5d) -> [4s,4p,3d]
RHENIUM (7s,7p,5d) -> [4s,4p,3d]
OSMIUM (7s,7p,5d) -> [4s,4p,3d]
IRIDIUM (7s,7p,5d) -> [4s,4p,3d]
PLATINUM (7s,7p,5d) -> [4s,4p,3d]
GOLD (7s,7p,5d) -> [4s,4p,3d]
MERCURY (7s,7p,5d) -> [4s,4p,3d]
THALLIUM (7s,7p,5d) -> [4s,4p,3d]
LEAD (5s,5p) -> [2s,2p]
BISMUTH (5s,5p) -> [2s,2p]
POLONIUM (5s,5p) -> [2s,2p]
ASTATINE (5s,5p) -> [2s,2p]
RADON (5s,5p) -> [2s,2p]
Effective Core Potentials
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