MOLPRO Basis Query, basis=V5Z-DK
Literature Citation
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).
Ga - Kr: A.K. Wilson, D.E. Woon, K.A. Peterson, and T.H. Dunning, J. Chem. Phys. 110, 7667 (1999).
all of above: W.A. de Jong, R.J. Harrison, and D.A. Dixon, J. Chem. Phys. 114, 48 (2001).
Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005).
Original basis sets:
HYDROGEN (8s,4p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
HELIUM (8s,4p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
LITHIUM (14s,7p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
BERYLLIUM (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
BORON (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
CARBON (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
NITROGEN (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
OXYGEN (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
FLUORINE (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
NEON (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
ALUMINUM (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
SILICON (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
PHOSPHORUS (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
SULFUR (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
CHLORINE (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
ARGON (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
GALLIUM (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
GERMANIUM (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
ARSENIC (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
SELENIUM (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
BROMINE (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
KRYPTON (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]