MOLPRO Basis Query, basis=rydberg1
Molpro basis library rydberg1 (Dunning-Hay DZ + Rydberg)
Generated from data/rydberg1.bas at Mon Jul 5 13:38:12 BST 1999
Literature Citation
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]
LITHIUM (9s,4p) -> [3s,2p]
BERYLLIUM (9s,5p) -> [3s,2p]
BORON (9s,5p) -> [3s,2p]
BORON Rydberg (1s,1p,1d)
CARBON (9s,5p) -> [3s,2p]
CARBON Rydberg (1s,1p,1d)
NITROGEN (9s,5p) -> [3s,2p]
NITROGEN Rydberg (1s,1p,1d)
OXYGEN (9s,5p) -> [3s,2p]
OXYGEN Rydberg (1s,1p,1d)
FLUORINE (9s,5p) -> [3s,2p]
FLUORINE Rydberg (1s,1p,1d)
NEON (9s,5p) -> [3s,2p]
NEON Rydberg (1s,1p,1d)