MOLPRO Basis Query, basis=Bauschlicher-ANO
Molpro basis library cwb (Bauschlicher ANO)
Generated from data/cwb.bas at Mon Jul 5 13:10:19 BST 1999
Literature Citation
Elements References
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Sc - Cu: C. W. Bauschlicher, Jr., Theor. Chim. Acta (to be published).
(s,p,d) exponents from H. Partidge, J. Chem. Phys. 90, 1043 (1989).
SCANDIUM (21s,16p,9d,6f,4g) -> [7s,6p,4d,3f,2g]
TITANIUM 21s,16p,9d,6f,4g) -> [7s,6p,4d,3f,2g]
VANADIUM (20s,15p,10d,6f,4g) -> [7s,6p,4d,3f,2g]
CHROMIUM (20s,15p,10d,6f,4g) -> [7s,6p,4d,3f,2g]
MANGANESE (20s,15p,10d,6f,4g) -> [7s,6p,4d,3f,2g]
IRON (20s,15p,10d,6f,4g) -> [7s,6p,4d,3f,2g]
COBALT (20s,15p,10d,6f,4g) -> [7s,6p,4d,3f,2g]
NICKEL (20s,15p,10d,6f,4g) -> [7s,6p,4d,3f,2g]
COPPER