MOLPRO Basis Query, basis=VTZ
Molpro basis library cc_pvtz (cc-pVTZ)
Literature Citation
Elements References
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H : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
He : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).
B - Ne : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
Al - Ar: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005).
Ga - Kr: A.K. Wilson, D.E. Woon, K.A. Peterson, and T.H. Dunning, J. Chem. Phys. 110, 7667 (1999).
HYDROGEN (5s,2p,1d) -> [3s,2p,1d]
HELIUM (6s,2p,1d) -> [3s,2p,1d]
BORON (10s,5p,2d,1f) -> [4s,3p,2d,1f]
CARBON (10s,5p,2d,1f) -> [4s,3p,2d,1f]
NITROGEN (10s,5p,2d,1f) -> [4s,3p,2d,1f]
OXYGEN (10s,5p,2d,1f) -> [4s,3p,2d,1f]
FLUORINE (10s,5p,2d,1f) -> [4s,3p,2d,1f]
NEON (10s,5p,2d,1f) -> [4s,3p,2d,1f]
ALUMINUM (15s,9p,2d,1f) -> [5s,4p,2d,1f]
SILICON (15s,9p,2d,1f) -> [5s,4p,2d,1f]
PHOSPHORUS (15s,9p,2d,1f) -> [5s,4p,2d,1f]
SULFUR (15s,9p,2d,1f) -> [5s,4p,2d,1f]
CHLORINE (15s,9p,2d,1f) -> [5s,4p,2d,1f]
ARGON (15s,9p,2d,1f) -> [5s,4p,2d,1f]
GALLIUM (20s,13p,9d,1f) -> [6s,5p,2d,1f]
GERMANIUM (20s,13p,9d,1f) -> [6s,5p,2d,1f]
ARSENIC (20s,13p,9d,1f) -> [6s,5p,2d,1f]
SELENIUM (20s,13p,9d,1f) -> [6s,5p,2d,1f]
BROMINE (20s,13p,9d,1f) -> [6s,5p,2d,1f]
KRYPTON (20s,13p,9d,1f) -> [6s,5p,2d,1f]