화학공학소재연구정보센터
Journal of Chemical Physics, Vol.108, No.20, 8725-8735, 1998
Flexible conducting polymers: An analytic approach
By using field theoretic, functional integral techniques, we can treat analytically, to very late stages of the calculations, the thermodynamic properties of standard models of conducting polymers in solution. Both the primary interest and calculational difficulty of these systems arise from the coupling between fermionic and conformational degrees of freedom. In the functional integral for the partition function we integrate out exactly the fermionic degrees of freedom and treat the remaining configurational integrals within a loop expansion around the saddle point. We show excellent agreement with Monte Carlo calculations available for some specific models and relatively short chains, and we demonstrate how easily these methods can be used also for long chains and at low temperatures, for which numerical calculations are impractical.