Andrea Peluso

Franck-Condon Integrals calculation with MolFC


Franck-Condon integrals are the basic element for the theoretical study of electronic spectra, and for quantum dynamical analysis of medium-size molecular systems.

We have developed a package for computing multidimensional Franck-Condon integrals. For a recent review see R. Borrelli, A. Peluso, Can. J. Chem. 91, 295, (2013), and R. Borrelli, A. Peluso, Wiley Interdisciplinary Reviews: Computational Molecular Science 3, 542, (2013). The software can be freely obtained by filling out the request form.

If you have problems downloading, installing or running the program please send an email to