SRLC is not available for shaded elements
| (a) | No ECP; Pople 6-31G basis used |
|---|---|
| (b) | Fuentealba, Preuss, Stoll, & von Szentpály (Ref. 276) |
| (c) | Fuentealba, von Szentpály, Preuss, & Stoll (Ref. 278) |
| (d) | Bergner, Dolg, Küchle, Stoll, & Preuss (Ref. 84 |
| (e) | Nicklass, Dolg, Stoll, & Preuss, (Ref. 670) |
| (f) | Schautz, Flad, & Dolg (Ref. 815) |
| (g) | Fuentealba, Stoll, von Szentpály, Schwerdtfeger, & Preuss (Ref. 277) |
| (h) | von Szentpály, Fuentealba, Preuss, & Stoll (Ref. 957) |
| (i) | Küchle, Dolg, Stoll, & Preuss (Ref. 507) |
| Element | Core | Max Projector | Valence |
|---|---|---|---|
| H–He | none | none | (2s) |
| Li–Be | [He] | (2s,2p) | |
| B–N | [He] | (2s,2p) | |
| O–F | [He] | (2s,3p) | |
| Ne | [He] | (4s,4p,3d,1f) | |
| Na–P | [Ne] | (2s,2p) | |
| S–Cl | [Ne] | (2s,3p) | |
| Ar | [Ne] | (4s,4p,3d,1f) | |
| K–Ca | [Ar] | (2s,2p) | |
| Zn | [Ar]+3d | (3s,2p) | |
| Ga–As | [Ar]+3d | (2s,2p) | |
| Se–Br | [Ar]+3d | (2s,3p) | |
| Kr | [Ar]+3d | (4s,4p,3d,1f) | |
| Rb–Sr | [Kr] | (2s,2p) | |
| In–Sb | [Kr]+4d | (2s,2p) | |
| Te–I | [Kr]+4d | (2s,3p) | |
| Xe | [Kr]+4d | (4s,4p,3d,1f) | |
| Cs–Ba | [Xe] | (2s,2p) | |
| Hg–Bi | [Xe]+4f+5d | (2s,2p,1d) | |
| Po–At | [Xe]+4f+5d | (2s,3p,1d) | |
| Rn | [Xe]+4f+5d | (2s,2p,1d) | |
| Ac–Lr | [Xe]+4f+5d | (5s,5p,4d,3f,2g) |