The effect of disorder in stereo-irregular polymer chains

Abstract

Abstract The intricate interplay between electron-electron interactions and structural disorder in studied for a model polymeric stereo irregular chain of hydrogen atoms, treating the constant bond length as a varying parameter. Eigenstates and densities of states are calculated using a modified spin-polarized Hartree-Fock scheme. The electronic structure is also compared with that of a regular chain. Based on the result from the numerical solution, a model Hamiltonian suitable for analytical treatment of this system is also proposed.