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MOLPRO Basis Query, basis=cc-pVDZMolpro basis library cc_pvdz (cc-pVDZ) Literature Citation Elements References -------- ---------- 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] |