fit-HWMB is not available for shaded elements
| (a) | No ECP; Pople STO-3G basis used |
|---|---|
| (b) | Wadt & Hay (Ref. 1008) |
| (c) | Hay & Wadt (Ref. 352) |
| (d) | Hay & Wadt (Ref. 351) |
| Element | Core | Max Projector | Valence |
|---|---|---|---|
| H–He | none | none | (1s) |
| Li–Ne | none | none | (2s,1p) |
| Na–Ar | [Ne] | (1s,1p) | |
| K–Ca | [Ne] | (2s,1p) | |
| Sc–Cu | [Ne] | (2s,1p,1d) | |
| Zn | [Ar] | (1s,1p,1d) | |
| Ga–Kr | [Ar]+3d | (1s,1p) | |
| Rb–Sr | [Ar]+3d | (2s,1p) | |
| Y–Ag | [Ar]+3d | (2s,1p,1d) | |
| Cd | [Kr] | (1s,1p,1d) | |
| In–Xe | [Kr]+4d | (1s,1p) | |
| Cs–Ba | [Kr]+4d | (2s,1p) | |
| La | [Kr]+4d | (2s,1p,1d) | |
| Hf–Au | [Kr]+4d+4f | (2s,1p,1d) | |
| Hg | [Xe]+4f | (1s,1p,1d) | |
| Tl–Bi | [Xe]+4f+5d | (1s,1p) |