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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).



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