fit-SBKJC is not available for shaded elements
| (a) | No ECP; Pople 3-21G basis used |
|---|---|
| (b) | Stevens, Basch, & M. Krauss (Ref. 1082) |
| (c) | Stevens, Krauss, Basch, & Jasien (Ref. 1083) |
| (d) | Cundari & Stevens (Ref. 240) |
| Element | Core | Max Projector | Valence |
|---|---|---|---|
| H–He | none | none | (2s) |
| Li–Ne | [He] | S | (2s,2p) |
| Na–Ar | [Ne] | P | (2s,2p) |
| K–Ca | [Ar] | P | (2s,2p) |
| Sc–Ga | [Ne] | P | (4s,4p,3d) |
| Ge–Kr | [Ar]+3d | D | (2s,2p) |
| Rb–Sr | [Kr] | D | (2s,2p) |
| Y–In | [Ar]+3d | D | (4s,4p,3d) |
| Sn–Xe | [Kr]+4d | D | (2s,2p) |
| Cs–Ba | [Xe] | D | (2s,2p) |
| La | [Kr]+4d | F | (4s,4p,3d) |
| Ce–Lu | [Kr]+4d | D | (4s,4p,1d,1f) |
| Hf–Tl | [Kr]+4d+4f | F | (4s,4p,3d) |
| Pb–Rn | [Xe]+4f+5d | F | (2s,2p) |