| (a) | No ECP; Pople 6-311G* basis used |
|---|---|
| (b) | Pacios & Christiansen (Ref. 698) |
| (c) | Hurley, Pacios, Christiansen, Ross, & Ermler (Ref. 405) |
| (d) | LaJohn, Christiansen, Ross, Atashroo, & Ermler (Ref. 516) |
| (e) | Ross, Powers, Atashroo, Ermler, LaJohn, & Christiansen (Ref. 802) |
| (f) | Ermler, Ross, & Christiansen (Ref. 255) |
| (g) | Ross, Gayen, & Ermler (Ref. 801) |
| (h) | Nash, Bursten, & Ermler (Ref. 666) |
| Element | Core | Max Projector | Valence |
|---|---|---|---|
| H–He | none | none | (3s) |
| Li–Ne | [He] | S | (4s,4p) |
| Na–Mg | [He] | S | (6s,4p) |
| Al–Ar | [Ne] | P | (4s,4p) |
| K–Ca | [Ne] | P | (5s,4p) |
| Sc–Zn | [Ne] | P | (7s,6p,6d) |
| Ga–Kr | [Ar] | P | (3s,3p,4d) |
| Rb–Sr | [Ar]+3d | D | (5s,5p) |
| Y–Cd | [Ar]+3d | D | (5s,5p,4d) |
| In–Xe | [Kr] | D | (3s,3p,4d) |
| Cs–La | [Kr]+4d | D | (5s,5p,4d) |
| Ce–Lu | [Xe] | D | (6s,6p,6d,6f) |
| Hf–Hg | [Kr]+4d+4f | F | (5s,5p,4d) |
| Tl–Rn | [Xe]+4f | F | (3s,3p,4d) |
| Fr–Ra | [Xe]+4f+5d | F | (5s,5p,4d) |
| Ac–Pu | [Xe]+4f+5d | F | (5s,5p,4d,4f) |
| Am–Lr | [Xe]+4f+5d | F | (0s,2p,6d,5f) |