On Franck-Condon Factor Calculations

摘要

The band strength SUv#x2032;Lv#x2032;is an average with respect to vibrational wavefunctions #x3D5;v#x2032;, and #x3D5;v#x2033;, of the electronic transition moment Re (r) whereandIn Eq. (2) we see that the electronic transition moment is an average with respect to electronic wavefunctions of (#x3D5;u and #x3D5;L) the electronic dipole moment. If Re (r) is independent of r, Eq. (1) becomeswhereis called the Franck-Condon factor and is the square of the overlap integral of vibrational wavefunctions. The Franck-Condon factor controls the intensity distribution from band to band across a system.