Table 2
Possible symmetries for Fe + H molecular states arising from various asymptotic atomic states and the total statistical weights.
| Label | Term | gtotal | Molecular terms |
|---|---|---|---|
| 1 | a5D | 50 | 4Σ+, 4Π, 4Δ, 6Σ+, 6Π, 6Δ |
| 2 | a5F | 70 | 4Σ−, 4Π, 4Δ, 4Φ, 6Σ−, 6Π, 6Δ, 6Φ |
| 3 | a3F | 42 | 2Σ−, 2Π, 2Δ, 2Φ, 4Σ−, 4Π, 4Δ, 4Φ |
| 4 | a5P | 30 | 4Σ−, 4Π, 6Σ−, 6Π |
| 5 | a3P2 | 18 | 2Σ−, 2Π, 4Σ−, 4Π |
| 6 | a3P2 | 18 | 2Σ−, 2Π, 4Σ−, 4Π |
| 7 | a3H | 66 | 2Σ−, 2Π, 2Δ, 2Φ, 2Γ, 2H, 4Σ−, 4Π, 4Δ, 4Φ, 4Γ, 4H |
| 8 | z7Do | 70 | 6Σ−, 6Π, 6Δ, 8Σ−, 8Π, 8Δ |
| 9 | b3F2 | 42 | 2Σ−, 2Π, 2Δ, 2Φ, 4Σ−, 4Π, 4Δ, 4Φ |
| 10 | a3G | 54 | 2Σ+, 2Π, 2Δ, 2Φ, 2Γ, 4Σ+, 4Π, 4Δ, 4Φ, 4Γ |
| … | … | … | … |
| 164 | 7G | 126 | 6Σ+, 6Π, 6Δ, 6Φ, 6Γ, 8Σ+, 8Π, 8Δ, 8Φ, 8Γ |
| 165 | 5Do | 50 | 4Σ−, 4Π, 4Δ, 6Σ−, 6Π, 6Δ |
| 166 | 5Fo | 70 | 4Σ+, 4Π, 4Δ, 4Φ, 6Σ+, 6Π, 6Δ, 6Φ |
| 167 | Fe+(a6D) + H− | 30 | 6Σ+, 6Π, 6Δ |
| 168 | Fe+(a4F) + H− | 28 | 4Σ−, 4Π, 4Δ, 4Φ |
| 169 | Fe+(a4D) + H− | 20 | 4Σ+, 4Π, 4Δ |
| 170 | Fe+(a4P) + H− | 12 | 4Σ−, 4Π |
| … | … | … | … |
| 187 | Fe+(c2G) + H− | 18 | 2Σ+, 2Π, 2Δ, 2Φ, 2Γ |
| 188 | Fe+(b2D) + H− | 10 | 2Σ+, 2Π, 2Δ |
| 189 | Fe+(a2S) + H− | 2 | 2Σ+ |
| 190 | Fe+(c2D) + H− | 10 | 2Σ+, 2Π, 2Δ |
| 191 | Fe+(d2D2) + H− | 10 | 2Σ+, 2Π, 2Δ |
| Number of symmetries to calculate: 18 | 6Σ+, 6Π, 6Δ, 4Σ−, 4Π, 4Δ, 4Φ, 4Σ+, 2Σ+, 2Π, 2Δ, 2Φ, 2Γ, 2Σ−, 2H, 4Γ, 4I, 2I | ||
| gtotal: | 6, 12, 12, 4, 8, 8, 8, 4, 2, 4, 4, 4, 4, 2, 4, 8, 8, 4 | ||
Notes: The symmetries leading to covalent–ionic interactions among the considered states, and which thus need to be calculated, are shown at the bottom along with their statistical weights. For covalent configurations in which iron is neutral and/or hydrogen is in the ground state, this information is implied and omitted for clarity. The full table is available at the CDS.
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