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Calculated spectroscopic constants for the adiabatic S Λ Σ and Ω states of Ba2
| S Λ Σ states | Te (cm-1) | ωe (cm-1) | Re (Å) | Be (cm-1) | ωe χe (cm-1) |
|---|---|---|---|---|---|
| (1) 1Σg+ | 0 | 35 | 4.881 | 0.0103 | 0.204 |
| (2) 1Σg+ (a) | 9 763 | 96 | 3.624 | 0.0187 | 0.710 |
| (2) 1Σg+ (b) | 9 228 | 99 | 3.615 | 0.0188 | 0.283 |
| (3) 1Σg+ | 11 868 | 64 | 3.923 | 0.0160 | 0.048 |
| (1) 3Σg+ | 9 283 | 35 | 4.866 | 0.0104 | 0.211 |
| (1) 3Σg- | 5 014 | 93 | 3.583 | 0.0191 | 0.094 |
| (1) 1Πg | 2 927 | 84 | 3.892 | 0.0162 | 0.156 |
| (2) 1Πg | 11 701 | 60 | 4.318 | 0.0132 | 0.115 |
| (1) 3Πg | 3 090 | 81 | 3.893 | 0.0162 | 0.200 |
| (2) 3Πg | 9 663 | 56 | 4.404 | 0.0127 | 0.142 |
| (1) 1Δg | 7 507 | 86 | 3.554 | 0.0194 | 0.330 |
| (1) 1Σu+ | 5 956 | 70 | 4.083 | 0.0147 | 0.163 |
| (2) 1Σu+ | 13 141 | 59 | 4.638 | 0.0114 | 0.221 |
| (1) 3Σu+ | 4 900 | 67 | 4.126 | 0.0144 | 0.177 |
| (2) 3Σu+ | 9 073 | 57 | 4.502 | 0.0121 | 0.144 |
| (1) 5Σu- | 8 741 | 83 | 3.680 | 0.0181 | 0.067 |
| (1) 1Πu | 8 846 | 92 | 3.573 | 0.0192 | 0.483 |
| (2) 1Πu | 11 091 | 71 | 3.829 | 0.0167 | 0.081 |
| (1) 3Πu | 7 616 | 60 | 3.804 | 0.0170 | 0.300 |
| (2) 3Πu | 9 630 | 59 | 3.869 | 0.0164 | 0.0160 |
| (1) 1Δu | 8 841 | 62 | 4.176 | 0.0141 | 0.209 |
| (1) 3Δu | 7 576 | 57 | 4.184 | 0.0140 | 0.244 |
| Ω states | Main Parent | Te (cm-1) | ωe (cm-1) | Re (Å) | Be (cm-1) | ωe χe (cm-1) | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| (1) 0g+ | (1) 1Σg+ | 0 | 36 | 4.905 | 0.0102 | 0.210 | ||||||
| (1) 0g- | (1) 3Πg | 2 831 | 80 | 3.944 | 0.0158 | 0.184 | ||||||
| (2) 0g- | (1) 3Σg+ | 9 058 | 38 | 4.685 | 0.0112 | 0.155 | ||||||
| (3) 0g- | (2) 3Πg | 9 803 | 54 | 4.555 | 0.0118 | 0.191 | ||||||
| (1) 1g | (1) 3Πg | 2 744 | 80 | 3.908 | 0.0161 | 0.192 | ||||||
| (2) 1g | (1) 1Πg | 3 249 | 79 | 3.894 | 0.0162 | 0.159 | ||||||
| (3) 1g | (1) 3Σg- | 5 114 | 121 | 3.690 | 0.0180 | 0.450 | ||||||
| (1) 2g | (1) 3Πg | 3 346 | 80 | 3.956 | 0.0157 | 0.189 | ||||||
| (2) 2g | (1) 1Δg | 7 516 | 92 | 3.621 | 0.0187 | 0.472 | ||||||
| (1) 0u+ (a) | (1) 1Σu+ | 5 927 | 68 | 4.000 | 0.0153 | 0.245 | ||||||
| (1) 0u+ (b) | (1) 1Σu+ | 5 913 | 77 | 4.033 | 0.0151 | 0.320 | ||||||
| (3) 0u+ | (2) 3Πu | 9 362 | 63 | 3.954 | 0.0157 | 0.204 | ||||||
| (1) 0u- | (1) 3Σu+ | 4 893 | 66 | 4.185 | 0.0140 | 0.186 | ||||||
| (1) 1u | (1) 3Σg+ | 4 895 | 66 | 4.196 | 0.0139 | 0.180 | ||||||
| (a) From the adiabatic curve. (b) From the diabatic curve (See text in reference below). | ||||||||||||
Created November 3, 2015, Updated August 18, 2025