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. 2024 May 1;128(19):3855–3863. doi: 10.1021/acs.jpca.4c01757

Table 4. Changes in the Vibrational Term Values (ΔGnav, in Inverse Centimeters) for the X2Σ+ State of 24MgH Calculated Taking into Account the Nonadiabatic Effects.

v VRMa TSOb ARMc
0 –0.25 –0.22 –0.20
1 –0.72 –0.63 –0.56
2 –1.19 –1.03 –0.89
3 –1.64 –1.43 –1.18
4 –2.10 –1.84 –1.43
5 –2.56 –2.26 –1.62
6 –2.98 –2.66 –1.74
7 –3.30 –2.97 –1.76
8 –3.37 –3.06 –1.62
9 –2.83 –2.60 –1.25
10 –1.32 –1.23 –0.57
11 –0.29 –0.27 –0.13
a

Predicted using the effective vibrational reduced mass μv = μ/(1 + β).

b

Predicted using the parameter β modified to account only for the interaction between two states X2Σ+ and B2Σ+; see the text.

c

Predicted using the atomic reduced mass μat.