Table 3 Comparison of the theoretical line positions of the A1Σu+(v′ = 3, J′ = 11) → X1Σg+(v″, J″ = 10,12) fluorescence progression in the LIF spectrum of 24Mg2 calculated in this work with experiment.

All line positions are in reciprocal centimeter. The available experimental values are the actual line positions, whereas our calculated results are errors relative to experiment. If the experimentally determined line positions are not available, we provide their calculated values in square brackets. Horizontal bars indicate term values not supported by the X1Σg+ PEC.

vP12R10
Calc.Expt.*Calc.Expt.*
0−1.526,701.9−1.526,706.0
1−1.226,654.5−1.326,658.5
2−1.026,610.3−1.026,614.1
3−0.726,569.2−0.726,572.8
4−0.426,531.1−0.526,534.6
5−0.226,496.0−0.226,499.3
60.026,463.9[26,467.1]
70.126,434.90.126,437.9
80.126,408.80.126,411.7
90.026,385.90.026,388.5
10−0.226,366.0−0.226,368.4
11−0.426,349.2−0.426,351.4
12−0.726,335.6−0.626,337.5
13−1.026,325.0−0.926,326.7
14[26,316.2][26,317.7]
15[26,311.1][26,312.2]
16[26,308.4][26,309.1]
17[26,308.0]
18

*Differences between the experimental X1Σg+(v″, J″ = 10,12) and A1Σu+(v′ = 3, J′ = 11) term values reported in the supplementary material of (21) (see the Supplementary Materials), unless stated otherwise.

†The X1Σg+(v″ = 5, J″ = 10) → A1Σu+(v′ = 3, J′ = 11) pump frequency reported in figure 3 of (20).