TransWikia.com

Calculating the Franck-Condon Factors

Physics Asked on July 31, 2021

I want to calculate the Frank-Condon Factors using the standard equation:
$$q_{v’v”}=left[int psi_{v’}^* psi_{v”} drright]^2$$

I have the vibrational wave functions of $v’$ and $v”$ in numeric form (i.e. points and not in analytical form). Now, if we take the complex conjugate of the vibrational wave function $v’$ and we multiply it with the vibrational wave function $v”$, we get a single value as an integrand.

My question is, how can we solve the integral in this case:

  1. Is it a definite integral? If yes, then what are the lower and upper boundaries in this case? Are they the internuclear distances $r’_e$ and $r”_e$?

  2. If not, and it is an indefinite integral, then we will get a single value multiplied by a variable, and thus not obtaining a value of the FCF which is between 0 and 1.

Add your own answers!

Ask a Question

Get help from others!

© 2024 TransWikia.com. All rights reserved. Sites we Love: PCI Database, UKBizDB, Menu Kuliner, Sharing RPP