Ab initio calculation of the ground and first excited states of the lithium dimer

JianJun Qi,YuYao Bai,QianQian Guo,Yong-Chang Han,Maksim B Shundalau

Table 6. Franck–Condon factors for the transition from the v′ = 0 of the ${\rm{X}}{}^{{\rm{1}}}{\rm{\Sigma }}_{g}^{+}$ state to the v″ = 0–74 of the ${\rm{A}}{}^{{\rm{1}}}{\rm{\Sigma }}_{u}^{+}$ state of 7Li2.

v″ F–C factors v″ F–C factors 0 0.651 42 38 1.54E-10 1 0.600 29 39 7.65E-11 2 0.397 16 40 2.91E-11 3 0.214 89 41 2.24E-12 4 0.0988 42 1.16E-11 5 0.038 41 43 1.76E-11 6 0.0118 44 1.90E-11 7 0.002 01 45 1.81E-11 8 7.04E-04 46 1.61E-11 9 9.70E-04 47 1.38E-11 10 6.45E-04 48 1.15E-11 11 3.26E-04 49 9.41E-12 12 1.31E-04 50 7.63E-12 13 3.68E-05 51 6.15E-12 14 4.70E-07 52 4.94E-12 15 9.01E-06 53 3.97E-12 16 8.53E-06 54 3.18E-12 17 5.65E-06 55 2.56E-12 18 3.07E-06 56 2.06E-12 19 1.39E-06 57 1.66E-12 20 4.78E-07 58 1.34E-12 21 6.11E-08 59 1.09E-12 22 8.77E-08 60 8.90E-13 23 1.13E-07 61 7.30E-13 24 9.23E-08 62 6.10E-13 25 6.23E-08 63 5.10E-13 26 3.69E-08 64 4.30E-13 27 1.92E-08 65 3.70E-13 28 8.43E-09 66 3.10E-13 29 2.55E-09 67 2.70E-13 30 2.49E-10 68 2.30E-13 31 1.31E-09 69 1.90E-13 32 1.49E-09 70 1.60E-13 33 1.29E-09 71 1.40E-13 34 9.87E-10 72 1.10E-13 35 6.91E-10 73 9.00E-14 36 4.51E-10 74 6.00E-14 37 2.75E-10 — —