A MODEL FOR ELECTRON-NUCLEAR DYNAMICS OF A MONATOMIC CHAIN

The electron nuclear dynamics (END) approach is developed for a linear chain in a parametrized model inspired by the PPP (Pariser-Parr-Pople ) model. Particular attention is given to the model parameters, and th e choice of basis functions in this time-dependent theory. The resulti ng equations of motion include electronic-vibrational couplings. Expli cit analysis of the simplest model leads to coupling between the highe st frequency longitudinal vibrational mode and the electrons.