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. 2019 Jun 25;5(6):e01987. doi: 10.1016/j.heliyon.2019.e01987

Table 3.

Calculated electronic absorption spectrum.

Excitation
CI expansion
Energy
Wavelength
Oscillator
- coefficient (eV) calc. (nm) strength(f)
Excited State 1
44→45 0.69008 4.7415 261.49 0.0036
Excited state 2
44→46 0.55533 4.8660 254.79 0.0253
Excited state 3
44→48 0.14074 5.2152 237.74 0.3564