FLEXIBLE CONDUCTING POLYMERS - AN ANALYTIC APPROACH

Authors
Citation
Dw. Hone et H. Orland, FLEXIBLE CONDUCTING POLYMERS - AN ANALYTIC APPROACH, The Journal of chemical physics, 108(20), 1998, pp. 8725-8735
Citations number
25
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
108
Issue
20
Year of publication
1998
Pages
8725 - 8735
Database
ISI
SICI code
0021-9606(1998)108:20<8725:FCP-AA>2.0.ZU;2-M
Abstract
By using field theoretic, functional integral techniques, we can treat analytically, to very late stages of the calculations, the thermodyna mic properties of standard models of conducting polymers in solution. Both the primary interest and calculational difficulty of these system s 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 r emaining configurational integrals within a loop expansion around the saddle point. We show excellent agreement with Monte Carlo calculation s available for some specific models and relatively short chains, and we demonstrate how easily these methods can be used also for long chai ns and at low temperatures, for which numerical calculations are impra ctical. (C) 1998 American Institute of Physics. [S0021-9606(98)51120-8 ].