MOLPRO Basis Query, basis=Dunning-SVP
Molpro basis library dunning_svp (SVP (Dunning-Hay))
Generated from data/dunning_svp.bas at Mon Jul 5 13:17:44 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
H - F: T.H. DUNNING JR. AND P.J. HAY, IN METHODS OF ELECTRONIC STRUCTURE
THEORY VOL. 2, H.F. SCHAEFER III, ED., PLENUM PRESS (1977).
Si - Cl: E. MAGNUSSON AND H.F. SCHAEFER III, JCP 83, 5721 (1985).
HYDROGEN (4s) -> [2s]
HYDROGEN (1p)
LITHIUM (9s,4p) -> [3s,2p]
LITHIUM (1d)
BERYLLIUM (9s,5p) -> [3s,2p]
BERYLLIUM (1d)
BORON (9s,5p) -> [3s,2p]
BORON (1d)
CARBON (9s,5p) -> [3s,2p]
CARBON (1d)
NITROGEN (9s,5p) -> [3s,2p]
NITROGEN (1d)
OXYGEN (9s,5p) -> [3s,2p]
OXYGEN (1d)
FLUORINE (9s,5p) -> [3s,2p]
FLUORINE (1d)
NEON (9s,5p) -> [3s,2p]
NEON (1d)