MOLPRO Basis Query, basis=rydberg4
Molpro basis library rydberg4 (Dunning-Hay DZ + Rydberg")
Generated from data/rydberg4.bas at Mon Jul 5 13:39:36 BST 1999
Literature Citation
T.H. DUNNING, JR., J. CHEM. PHYS. 53, 2823 (1970).
T.H. DUNNING, JR. AND P.J. HAY, IN METHODS OF ELECTRONIC STRUCTURE THEORY,
VOL. 2, H.F. SCHAEFER III, ED., PLENUM PRESS (1977).
POLARIZATION AND/OR DIFFUSE FUNCTIONS
T.H. DUNNING, JR. AND P.J. HARRISON, IN MODERN THEORETICAL CHEMISTRY, VOL.2
ED. H.F. SCHAEFER III (PLENUM PRESS, NEW YORK, 1977).
HYDROGEN (4s) -> [2s]
BORON (9s,5p) -> [4s,2p]
BORON Rydberg (1s,1p,1d)
CARBON (9s,5p) -> [4s,2p]
CARBON Rydberg (1s,1p,1d)
NITROGEN (9s,5p) -> [4s,2p]
NITROGEN Rydberg (1s,1p,1d)
OXYGEN (9s,5p) -> [4s,2p]
OXYGEN Rydberg (1s,1p,1d)
FLUORINE (9s,5p) -> [4s,2p]
FLUORINE Rydberg (1s,1p,1d)
NEON (9s,5p) -> [4s,2p]
NEON Rydberg (1s,1p,1d)
ALUMINUM (11s,7p) -> [6s,4p]
ALUMINUM Rydberg (1s,1p,1d)
SILICON (11s,7p) -> [6s,4p]
SILICON Rydberg (1s,1p,1d)
PHOSPHORUS (11s,7p) -> [6s,4p]
PHOSPHORUS Rydberg (1s,1p,1d)
SULFUR (11s,7p) -> [6s,4p]
SULFUR Rydberg (1s,1p,1d)
CHLORINE (11s,7p) -> [6s,4p]
CHLORINE Rydberg (1s,1p,1d)