MOLPRO Basis Query, basis=d-aug-cc-pVDZ
Molpro basis library daug_cc_pvdz (d-aug-cc-pVDZ)
Generated from daug_cc_pvdz.bas at Mon Dec 4 05:22:56 GMT 2000
Literature Citation
Elements References
-------- ----------
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).
Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
Na - Mg: D.E. Woon and T.H. Dunning, Jr. (to be published)
Al - Ar: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
POLARIZATION AND/OR DIFFUSE FUNCTIONS
Elements References
-------- ---------
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 - F: R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96,
6769 (1992).
Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
POLARIZATION AND/OR DIFFUSE FUNCTIONS
Elements References
-------- ---------
H - He: D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).
B - F:
Al - Cl:
HYDROGEN (4s,1p) -> [2s,1p]
HYDROGEN Diffuse (1s,1p)
HYDROGEN Diffuse (1s,1p)
HELIUM (4s,1p) -> [2s,1p]
HELIUM Diffuse (1s,1p)
HELIUM Diffuse (1s,1p)
BORON (9s,4p,1d) -> [3s,2p,1d]
BORON Diffuse (1s,1p,1d)
BORON Diffuse (1s,1p,1d)
CARBON (9s,4p,1d) -> [3s,2p,1d]
CARBON Diffuse (1s,1p,1d)
CARBON Diffuse (1s,1p,1d)
NITROGEN (9s,4p,1d) -> [3s,2p,1d]
NITROGEN Diffuse (1s,1p,1d)
NITROGEN Diffuse (1s,1p,1d)
OXYGEN (9s,4p,1d) -> [3s,2p,1d]
OXYGEN Diffuse (1s,1p,1d)
OXYGEN Diffuse (1s,1p,1d)
FLUORINE (9s,4p,1d) -> [3s,2p,1d]
FLUORINE Diffuse (1s,1p,1d)
FLUORINE Diffuse (1s,1p,1d)
NEON (9s,4p,1d) -> [3s,2p,1d]
NEON Diffuse (1s,1p,1d)
NEON Diffuse (1s,1p,1d)