MOLPRO Basis Query, basis=VDZ
Molpro basis library cc_pvdz (cc-pVDZ)
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); ibid, 125, 074110 (2006).
Ga - Kr: A.K. Wilson, D.E. Woon, K.A. Peterson, and T.H. Dunning, J. Chem. Phys. 110, 7667 (1999).
HYDROGEN (4s,1p) -> [2s,1p]
HELIUM (4s,1p) -> [2s,1p]
BORON (9s,4p,1d) -> [3s,2p,1d]
CARBON (9s,4p,1d) -> [3s,2p,1d]
NITROGEN (9s,4p,1d) -> [3s,2p,1d]
OXYGEN (9s,4p,1d) -> [3s,2p,1d]
FLUORINE (9s,4p,1d) -> [3s,2p,1d]
NEON (9s,4p,1d) -> [3s,2p,1d]
ALUMINUM (12s,8p,1d) -> [4s,3p,1d]
SILICON (12s,8p,1d) -> [4s,3p,1d]
PHOSPHORUS (12s,8p,1d) -> [4s,3p,1d]
SULFUR (12s,8p,1d) -> [4s,3p,1d]
CHLORINE (12s,8p,1d) -> [4s,3p,1d]
ARGON (12s,8p,1d) -> [4s,3p,1d]
GALLIUM (14s,11p,6d) -> [5s,4p,2d]
GERMANIUM (14s,11p,6d) -> [5s,4p,2d]
ARSENIC (14s,11p,6d) -> [5s,4p,2d]
SELENIUM (14s,11p,6d) -> [5s,4p,2d]
BROMINE (14s,11p,6d) -> [5s,4p,2d]
KRYPTON (14s,11p,6d) -> [5s,4p,2d]