Coherent states formulation of polymer field theory
- Department of Chemical Engineering, University of California, Santa Barbara, California 93106 (United States)
- Materials Research Laboratory, University of California, Santa Barbara, California 93106 (United States)
- Institut de Physique Théorique, CE-Saclay, CEA, F-91191 Gif-sur-Yvette Cedex (France)
We introduce a stable and efficient complex Langevin (CL) scheme to enable the first direct numerical simulations of the coherent-states (CS) formulation of polymer field theory. In contrast with Edwards’ well-known auxiliary-field (AF) framework, the CS formulation does not contain an embedded nonlinear, non-local, implicit functional of the auxiliary fields, and the action of the field theory has a fully explicit, semi-local, and finite-order polynomial character. In the context of a polymer solution model, we demonstrate that the new CS-CL dynamical scheme for sampling fluctuations in the space of coherent states yields results in good agreement with now-standard AF-CL simulations. The formalism is potentially applicable to a broad range of polymer architectures and may facilitate systematic generation of trial actions for use in coarse-graining and numerical renormalization-group studies.
- OSTI ID:
- 22253617
- Journal Information:
- Journal of Chemical Physics, Vol. 140, Issue 2; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
Similar Records
Kinetically-constrained ring-polymer molecular dynamics for non-adiabatic chemistries involving solvent and donor–acceptor dynamical effects
Reference interaction site model theory of polymeric liquids: Self-consistent formulation and nonideality effects in dense solutions and melts