Session D40 - Poster Session I.
POSTER session, Monday afternoon, March 12
Exhibit Hall, Washington State Convention Center
As the polymer chain is a quasi-one-dimensional system, the property of the polymeric molecule is that its energy spectrum and bond distortion depend on the excitation. The bond structure is easily distorted in this quasi-one-dimensional system. In our calculation, the Hamiltonian of exciton includes three parts, the electron-lattice interaction, electron-electron interaction and the interaction of the electrons with the electric field. We have obtained the total energy E in the Hartree-Fock approximation and the force of every lattice. Then we can get the new displacement order parameter of distorted lattice. At last, the electron's energy spectrum, wave function and the functions of lattice distortion can be obtained by self-consistently solving the combined eigen-equation and force equations. We found that the energy levels of the highest in valence band and the lowest in conducting band appear as periodic vibration during about 100 femtosecends, and that the two electronic bound states created near the center of the energy gap and caused self-trapping exciton.