-derived by the use of IGOR Macro „FCF 1“ Wavefunctions-, potentials- and Franck-Condon-Factor- (FCF) calculations For C2 -derived by the use of IGOR Macro „FCF 1“ (detailed description of the calculation procedures) See relevant IGOR file: https://notendur.hi.is/~agust/kennsla/ee14/ees/Daemi/EES-DIS3-14.pxp

Download IGOR and open FCF 1:

Find values for C2: http://webbook. nist. gov/chemistry/form-ser. html

R(upper) to cover a realistic DR range Change R(lower) and R(upper) to cover a realistic DR range To calculate wavefunctions, i.e. Re´=1.3184 Re“=1.2425 R/A For example: R(lower)= R(upper)= 0.8 5 Use „Weighted mass“ (reduced mass) for C2 = 0.5* m(C) = 6 amu Use v´= 0 and v´´ = 0 - 10

Enlarge region of interest:

Use different colours for the two differen U(r)´s and Y´s and enlarge figure:

Franck-Condon-Factor (FCF) calculations: