“…Here, N HOMO is the number of equivalent electrons in HOMO (the tunnel ionization from deeper shells of HOMO-1, HOMO-2, etc., are generally suppressed due to higher ionization energy-see also discussion in Section 3.2); the second, third and fourth multipliers are given by Equations ( 3), ( 10) and (26), respectively; the square of the vibrational overlap integral is called the Franck-Condon factor (FCF); µ i, f is the quantum numbers defining the electronic states of the neutral molecule or its ion:…”