A longer introduction to Franck Condon simulations

Multidimensional Franck-Condon integrals are important quantities in physical chemistry. In spectroscopy they are directly related to vibronic transition intensities of polyatomic molecules; in reaction dynamics they are used to calculate electron transfer rates in chemical and biological processes.

A variety of approaches have been developed to evaluate multidimensional Franck-Condon integrals. Among these, the coherent state method of Doctorov et al. [ ] has been extensively applied to large polyatomic molecules. Guner et al. [ ] was the first to use this method to simulate vibronic spectra of large molecules. Callis et al. [ ] applied the method to the fluorescence spectra of indole and Berger et al. [ ] to the simulation of vibrational sequence bands of benzene and pyrazine.

Please choose a subsection from the menu on the right hand side, to find out more. Some topics that are not covered on the website yet, can already be found in the manual in section 7.


© 2009 | FC-Lab2 Team