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Table 4.

Possible TiH molecular symmetries (terms) for each asymptotic state j included in the calculations, where asymptotic states with different Ti cores have been merged.

Index TermA gtotal Molecular terms

Covalent states: Ti(2SA + 1LA)+H(1s 2S)
1 a3F 42 2Σ,  2Π,  2Δ,  2Φ,  4Σ,  4Π,  4Δ,  4Φ
2 a5F 70 4Σ,  4Π,  4Δ,  4Φ,  6Σ,  6Π,  6Δ,  6Φ
3 a1D 10 2Σ+,  2Π,  2Δ
4 a3P 18 2Σ,  2Π,  4Σ,  4Π
5 b3F 42 2Σ,  2Π,  2Δ,  2Φ,  4Σ,  4Π,  4Δ,  4Φ
6 a1G 18 2Σ+,  2Π,  2Δ,  2Φ,  2Γ
7 a5P 30 4Σ,  4Π,  6Σ,  6Π
8 a3G 54 2Σ+,  2Π,  2Δ,  2Φ,  2Γ,  4Σ+,  4Π,  4Δ,  4Φ,  4Γ
9 z5Go 90 4Σ,  4Π,  4Δ,  4Φ,  4Γ,  6Σ,  6Π,  6Δ,  6Φ,  6Γ
10 z5Fo 70 4Σ+,  4Π,  4Δ,  4Φ,  6Σ+,  6Π,  6Δ,  6Φ
11 a3D 30 2Σ+,  2Π,  2Δ,  4Σ+,  4Π,  4Δ
12 b3P 18 2Σ,  2Π,  4Σ,  4Π
13 a3H 66 2Σ,  2Π,  2Δ,  2Φ,  2Γ,  2H,  4Σ,  4Π,  4Δ,  4Φ,  4Γ,  4H
14 b1G 18 2Σ+,  2Π,  2Δ,  2Φ,  2Γ
15 z5Do 50 4Σ,  4Π,  4Δ,  6Σ,  6Π,  6Δ
16 c3P 18 2Σ,  2Π,  4Σ,  4Π
17 z3Fo 42 2Σ+,  2Π,  2Δ,  2Φ,  4Σ+,  4Π,  4Δ,  4Φ
18 z3Do 30 2Σ,  2Π,  2Δ,  4Σ,  4Π,  4Δ
19 a1P 6 2Σ,  2Π
20 b1D 10 2Σ+,  2Π,  2Δ
142 u1Go 18 2Σ,  2Π,  2Δ,  2Φ,  2Γ
143 1Po 6 2Σ+,  2Π
144 1D 10 2Σ+,  2Π,  2Δ
145 f1F 14 2Σ,  2Π,  2Δ,  2Φ
146 3Go 54 2Σ,  2Π,  2Δ,  2Φ,  2Γ,  4Σ,  4Π,  4Δ,  4Φ,  4Γ

Ionic states: Ti+(2SA + 1LA)+H(1s21S)

147 a4F 28 4Σ,  4Π,  4Δ,  4Φ
148 b4F 28 4Σ,  4Π,  4Δ,  4Φ
149 a2F 14 2Σ,  2Π,  2Δ,  2Φ
150 a2D 10 2Σ+,  2Π,  2Δ
151 a2G 18 2Σ+,  2Π,  2Δ,  2Φ,  2Γ
152 a4P 12 4Σ,  4Π
153 a2P 6 2Σ,  2Π
154 b4P 12 4Σ,  4Π
155 b2D2 10 2Σ+,  2Π,  2Δ
156 a2H 22 2Σ,  2Π,  2Δ,  2Φ,  2Γ,  2H
157 b2G 18 2Σ+,  2Π,  2Δ,  2Φ,  2Γ
158 b2P 6 2Σ,  2Π
159 b2F 14 2Σ,  2Π,  2Δ,  2Φ
160 c2D 10 2Σ+,  2Π,  2Δ
161 d2D1 10 2Σ+,  2Π,  2Δ

Symmetries to calculate (11): 2Σ+ 4, 2Σ 4, 2Π 4, 2Δ 4, 2Φ 2Γ 2H
g: [2] [4, 2] [8, 4] [8, 4] [8, 4] [4] [4]

Notes. See the text for further details.

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