Journal of Chemical Physics, Vol.104, No.14, 5406-5414, 1996
The Coupled Electronic Oscillators vs the Sum-over-States Pictures for the Optical-Response of Octatetraene
A coupled electronic oscillator (CEO) analysis of the third harmonic generation (THG) spectrum for octatetraene is presented. The dominant oscillators and their couplings are identified using tree diagrams. The correspondence between the dominant oscillators in the CEO picture and the relevant excited states in the sum-over-states (SOS) description is demonstrated. The important channels in the SOS are related to the dominant oscillator pathways in the CEO picture.
Keywords:3RD-HARMONIC GENERATION;RELAXATION ENERGIES;2-PHOTON ABSORPTION;POLYENES;TRANS;TRANS-1;3;5;7-OCTATETRAENE;SPECTROSCOPY;EXCITATION