SRSC is not available for shaded elements
| (a) | No ECP; Pople 6-311G* basis used |
|---|---|
| (b) | Leininger, Nicklass, Küchle, Stoll, Dolg, & Bergner (Ref. 567) |
| (c) | Kaupp, Schleyer, Stoll, & Preuss (Ref. 463) |
| (d) | Dolg, Wedig, Stoll, & Preuss (Ref. 231) |
| (e) | Andrae, Häußermann, Dolg, Stoll, & Preuss (Ref. 21) |
| (f) | Dolg, Stoll, & Preuss (Ref. 230) |
| (g) | Küchle, Dolg, Stoll, & Preuss (Ref. 516) |
| Element | Core | Max Projector | Valence |
|---|---|---|---|
| H–Ar | none | none | (3s) |
| Li–Ne | none | none | (4s,3p,1d) |
| Na–Ar | none | none | (6s,5p,1d) |
| K | [Ne] | (5s,4p) | |
| Ca | [Ne] | (4s,4p,2d) | |
| Sc–Zn | [Ne] | (6s,5p,3d) | |
| Rb | [Ar]+3d | (5s,4p) | |
| Sr | [Ar]+3d | (4s,4p,2d) | |
| Y–Cd | [Ar]+3d | (6s,5p,3d) | |
| Cs | [Kr]+4d | (5s,4p) | |
| Ba | [Kr]+4d | (3s,3p,2d,1f) | |
| Ce–Yb | [Ar]+3d | (5s,5p,4d,3f) | |
| Hf–Pt | [Kr]+4d+4f | (6s,5p,3d) | |
| Au | [Kr]+4d+4f | (7s,3p,4d) | |
| Hg | [Kr]+4d+4f | (6s,6p,4d) | |
| Ac–Lr | [Kr]+4d+4f | (8s,7p,6d,4f) |