MOLPRO Basis Query, basis=VQZ
Molpro basis library cc_pvqz (cc-pVQZ)
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 (6s,3p,2d,1f) -> [4s,3p,2d,1f]
HELIUM (7s,3p,2d,1f) -> [4s,3p,2d,1f]
BORON (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
CARBON (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
NITROGEN (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
OXYGEN (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
FLUORINE (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
NEON (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
ALUMINUM (16s,11p,3d,2f,1g) -> [6s,5p,3d,2f,1g]
SILICON (16s,11p,3d,2f,1g) -> [6s,5p,3d,2f,1g]
PHOSPHORUS (16s,11p,3d,2f,1g) -> [6s,5p,3d,2f,1g]
SULFUR (16s,11p,3d,2f,1g) -> [6s,5p,3d,2f,1g]
CHLORINE (16s,11p,3d,2f,1g) -> [6s,5p,3d,2f,1g]
ARGON (16s,11p,3d,2f,1g) -> [6s,5p,3d,2f,1g]
GALLIUM (21s,16p,12d,2f,1g) -> [7s,6p,4d,2f,1g]
GERMANIUM (21s,16p,12d,2f,1g) -> [7s,6p,4d,2f,1g]
ARSENIC (21s,16p,12d,2f,1g) -> [7s,6p,4d,2f,1g]
SELENIUM (21s,16p,12d,2f,1g) -> [7s,6p,4d,2f,1g]
BROMINE (21s,16p,12d,2f,1g) -> [7s,6p,4d,2f,1g]
KRYPTON (21s,16p,12d,2f,1g) -> [7s,6p,4d,2f,1g]