CCL: Franck-Condon Factors



 Sent to CCL by: John McKelvey [jmmckel-*-attglobal.net]
 Dear Aurora,
 
Could I suggest that you contact Marc Dierksen in Stefan Grimme's group at dierksen ~ uni-muenster.de ? Tell him to blame it on me..
 Best regards,
 John McKelvey
 Aurora E Clark auclark*|*wsu.edu wrote:
 
 Sent to CCL by: "Aurora E Clark" [auclark---wsu.edu]
 Dear CCL'ers;
 I am interested in calculating FC factors between a ground and excited state. I
 know that there are several ways to do this (DALTON, etc.) However, I am
 interested in more than just the 0->0 FC factor that it seems like the common
 methods determine. Does anyone know of a program that calculates the FC factors
 for the 0->0, 0->1, 0->2, etc transitions that you would typically see
 in a vibronic progression in an abs. spectra?
 Thank you very much for any input you may have;
 Aurora>