Electronic structure of biopolymers and possible mechanisms of chemical carcinogenesis

As an illustration of the applicability of the coherent potential approximation (CPA) method to the treatment of aperiodic biopolymers (DNA and proteins) the results of a calculation with a k-dependent self-energy are presented in the case of the (SN)x and (SN—H)x mixed system. Further we give ab initio SCF LCAO band structures for polyglycine, which were corrected with the aid of the electron polaron model for long-range correlation and with the help of the ÔÂÔ method for excitonic effects. Finally, on the basis of the electronic structure of DNA and proteins, different possible mechanisms of chemical carcinogenesis are described.