fit-SBKJC is not available for shaded elements
| (a) | No ECP; Pople 3-21G basis used |
|---|---|
| (b) | Stevens, Basch, & M. Krauss (Ref. 883) |
| (c) | Stevens, Krauss, Basch, & Jasien (Ref. 884) |
| (d) | Cundari & Stevens (Ref. 202) |
| Element | Core | Max Projector | Valence |
|---|---|---|---|
| H–He | none | none | (2s) |
| Li–Ne | [He] | (2s,2p) | |
| Na–Ar | [Ne] | (2s,2p) | |
| K–Ca | [Ar] | (2s,2p) | |
| Sc–Ga | [Ne] | (4s,4p,3d) | |
| Ge–Kr | [Ar]+3d | (2s,2p) | |
| Rb–Sr | [Kr] | (2s,2p) | |
| Y–In | [Ar]+3d | (4s,4p,3d) | |
| Sn–Xe | [Kr]+4d | (2s,2p) | |
| Cs–Ba | [Xe] | (2s,2p) | |
| La | [Kr]+4d | (4s,4p,3d) | |
| Ce–Lu | [Kr]+4d | (4s,4p,1d,1f) | |
| Hf–Tl | [Kr]+4d+4f | (4s,4p,3d) | |
| Pb–Rn | [Xe]+4f+5d | (2s,2p) |